5-chloro-N-[5-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-4-(4-methylthiophen-2-yl)-1,3-thiazol-2-yl]pyrazine-2-carboxamide

C19H20ClN5OS2 — CID 129016393

IUPAC5-chloro-N-[5-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-4-(4-methylthiophen-2-yl)-1,3-thiazol-2-yl]pyrazine-2-carboxamide
SMILESCc1csc(-c2nc(NC(=O)c3cnc(Cl)cn3)sc2CN2CCC[C@H]2C)c1
InChIInChI=1S/C19H20ClN5OS2/c1-11-6-14(27-10-11)17-15(9-25-5-3-4-12(25)2)28-19(23-17)24-18(26)13-7-22-16(20)8-21-13/h6-8,10,12H,3-5,9H2,1-2H3,(H,23,24,26)/t12-/m1/s1
InChIKeyULZJACYSQHJUNL-GFCCVEGCSA-N
MW433.99 g/mol
LogP4.86
Rot. Bonds5

About 5-chloro-N-[5-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-4-(4-methylthiophen-2-yl)-1,3-thiazol-2-yl]pyrazine-2-carboxamide

5-chloro-N-[5-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-4-(4-methylthiophen-2-yl)-1,3-thiazol-2-yl]pyrazine-2-carboxamide (PubChem CID 129016393) has the molecular formula C19H20ClN5OS2 and a molecular weight of 433.99 g/mol. Its IUPAC name is 5-chloro-N-[5-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-4-(4-methylthiophen-2-yl)-1,3-thiazol-2-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[5-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-4-(4-methylthiophen-2-yl)-1,3-thiazol-2-yl]pyrazine-2-carboxamide
PubChem CID129016393
Molecular FormulaC19H20ClN5OS2
Molecular Weight433.99 g/mol
Exact Mass433.08
IUPAC Name5-chloro-N-[5-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-4-(4-methylthiophen-2-yl)-1,3-thiazol-2-yl]pyrazine-2-carboxamide
SMILESCc1csc(-c2nc(NC(=O)c3cnc(Cl)cn3)sc2CN2CCC[C@H]2C)c1
InChIInChI=1S/C19H20ClN5OS2/c1-11-6-14(27-10-11)17-15(9-25-5-3-4-12(25)2)28-19(23-17)24-18(26)13-7-22-16(20)8-21-13/h6-8,10,12H,3-5,9H2,1-2H3,(H,23,24,26)/t12-/m1/s1
InChIKeyULZJACYSQHJUNL-GFCCVEGCSA-N
XLogP4.86
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.99
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethane;methanol;N-[5-[(2-methylpyrrolidin-1-yl)methyl]-4-(4-methylthiophen-2-yl)-1,3-thiazol-2-yl]-5-[4-(3-oxopropyl)piperazin-1-yl]pyrazine-2-carboxamide
CID 144971794
5-chloro-N-[4-(3,5-dichloro-4-methoxyphenyl)-5-[(2-methylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]pyrazine-2-carboxamide
CID 129016276
N-[4-(4-chlorothiophen-2-yl)-5-[(2-methylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 144691537
1-(5-chloropyrazin-2-yl)-2-[5-[[(2R)-2-ethylpyrrolidin-1-yl]methyl]-4-(4-methylthiophen-2-yl)-1,3-thiazol-2-yl]ethanone
CID 161087404
2-[4-[5-[[4-(4-chlorothiophen-2-yl)-5-[(2-methylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]carbamoyl]pyrazin-2-yl]-3-methylpiperazin-1-yl]acetic acid
CID 138639848
ethane;1-[3-fluoro-5-[[5-[(2-methylpyrrolidin-1-yl)methyl]-4-(4-methylthiophen-2-yl)-1,3-thiazol-2-yl]carbamoyl]-2-pyridinyl]piperidine-4-carboxylic acid
CID 144971777
5-chloro-N-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-5-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]pyrazine-2-carboxamide
CID 118630416
ethyl 2-[(3R)-4-[5-[[4-(4-chlorothiophen-2-yl)-5-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]carbamoyl]pyrazin-2-yl]-3-methylpiperazin-1-yl]acetate
CID 129016277
ethyl 3-[4-[5-[[5-[(2-ethylpyrrolidin-1-yl)methyl]-4-(4-methylthiophen-2-yl)-1,3-thiazol-2-yl]carbamoyl]pyrazin-2-yl]piperazin-1-yl]propanoate
CID 129016630
3-[(2S)-4-[5-[[4-(4-bromothiophen-2-yl)-5-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]carbamoyl]pyrazin-2-yl]-2-methylpiperazin-1-yl]propanoic acid
CID 129016460
1-[3-chloro-5-[[4-(4-chlorothiophen-2-yl)-5-[(2-methylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]carbamoyl]-2-pyridinyl]piperidine-4-carboxylic acid
CID 11204009
1-[5-[[4-(5-chlorothiophen-3-yl)-5-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]carbamoyl]pyrazin-2-yl]piperidine-4-carboxylic acid
CID 118619645

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[5-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-4-(4-methylthiophen-2-yl)-1,3-thiazol-2-yl]pyrazine-2-carboxamide?
The IUPAC name of 5-chloro-N-[5-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-4-(4-methylthiophen-2-yl)-1,3-thiazol-2-yl]pyrazine-2-carboxamide (CID 129016393) is 5-chloro-N-[5-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-4-(4-methylthiophen-2-yl)-1,3-thiazol-2-yl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[5-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-4-(4-methylthiophen-2-yl)-1,3-thiazol-2-yl]pyrazine-2-carboxamide?
The canonical SMILES for 5-chloro-N-[5-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-4-(4-methylthiophen-2-yl)-1,3-thiazol-2-yl]pyrazine-2-carboxamide is Cc1csc(-c2nc(NC(=O)c3cnc(Cl)cn3)sc2CN2CCC[C@H]2C)c1.
What is the InChIKey of 5-chloro-N-[5-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-4-(4-methylthiophen-2-yl)-1,3-thiazol-2-yl]pyrazine-2-carboxamide?
The InChIKey is ULZJACYSQHJUNL-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H20ClN5OS2/c1-11-6-14(27-10-11)17-15(9-25-5-3-4-12(25)2)28-19(23-17)24-18(26)13-7-22-16(20)8-21-13/h6-8,10,12H,3-5,9H2,1-2H3,(H,23,24,26)/t12-/m1/s1.
What are the key properties of 5-chloro-N-[5-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-4-(4-methylthiophen-2-yl)-1,3-thiazol-2-yl]pyrazine-2-carboxamide?
5-chloro-N-[5-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-4-(4-methylthiophen-2-yl)-1,3-thiazol-2-yl]pyrazine-2-carboxamide has a molecular weight of 433.99 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[5-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-4-(4-methylthiophen-2-yl)-1,3-thiazol-2-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 129016393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).