N-[4-(4-chlorothiophen-2-yl)-5-[(2-methylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide

C15H18ClN3OS2 — CID 144691537

IUPACN-[4-(4-chlorothiophen-2-yl)-5-[(2-methylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(-c2cc(Cl)cs2)c(CN2CCCC2C)s1
InChIInChI=1S/C15H18ClN3OS2/c1-9-4-3-5-19(9)7-13-14(12-6-11(16)8-21-12)18-15(22-13)17-10(2)20/h6,8-9H,3-5,7H2,1-2H3,(H,17,18,20)
InChIKeyCZDCPIYVZZWPBN-UHFFFAOYSA-N
MW355.92 g/mol
LogP4.47
Rot. Bonds4

About N-[4-(4-chlorothiophen-2-yl)-5-[(2-methylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide

N-[4-(4-chlorothiophen-2-yl)-5-[(2-methylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 144691537) has the molecular formula C15H18ClN3OS2 and a molecular weight of 355.92 g/mol. Its IUPAC name is N-[4-(4-chlorothiophen-2-yl)-5-[(2-methylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-(4-chlorothiophen-2-yl)-5-[(2-methylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID144691537
Molecular FormulaC15H18ClN3OS2
Molecular Weight355.92 g/mol
Exact Mass355.06
IUPAC NameN-[4-(4-chlorothiophen-2-yl)-5-[(2-methylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(-c2cc(Cl)cs2)c(CN2CCCC2C)s1
InChIInChI=1S/C15H18ClN3OS2/c1-9-4-3-5-19(9)7-13-14(12-6-11(16)8-21-12)18-15(22-13)17-10(2)20/h6,8-9H,3-5,7H2,1-2H3,(H,17,18,20)
InChIKeyCZDCPIYVZZWPBN-UHFFFAOYSA-N
XLogP4.47
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.92
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
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
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
1-[5-[[4-(4-chlorothiophen-2-yl)-5-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]carbamoyl]-3-fluoro-2-pyridinyl]-2H-pyridine-4-carboxylic acid
CID 142798094
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
N-[5-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide
CID 129016624
3-[4-[5-[[[4-(4-chlorothiophen-2-yl)-5-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]amino]-hydroxymethyl]pyrazin-2-yl]piperazin-1-yl]propanoic acid
CID 167112430
1-[5-[[4-(4-chlorothiophen-2-yl)-5-[[(2R)-2-ethylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]carbamoyl]pyrazin-2-yl]piperidine-4-carboxylic acid
CID 118619662
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
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
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
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 N-[4-(4-chlorothiophen-2-yl)-5-[(2-methylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-(4-chlorothiophen-2-yl)-5-[(2-methylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide (CID 144691537) is N-[4-(4-chlorothiophen-2-yl)-5-[(2-methylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-(4-chlorothiophen-2-yl)-5-[(2-methylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-(4-chlorothiophen-2-yl)-5-[(2-methylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(-c2cc(Cl)cs2)c(CN2CCCC2C)s1.
What is the InChIKey of N-[4-(4-chlorothiophen-2-yl)-5-[(2-methylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is CZDCPIYVZZWPBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3OS2/c1-9-4-3-5-19(9)7-13-14(12-6-11(16)8-21-12)18-15(22-13)17-10(2)20/h6,8-9H,3-5,7H2,1-2H3,(H,17,18,20).
What are the key properties of N-[4-(4-chlorothiophen-2-yl)-5-[(2-methylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide?
N-[4-(4-chlorothiophen-2-yl)-5-[(2-methylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 355.92 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chlorothiophen-2-yl)-5-[(2-methylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 144691537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).