2-[3-(cyclopropylmethyl)-2-oxoimidazolidin-1-yl]-4-methyl-N-[(5-methylpyrazin-2-yl)methyl]-1,3-thiazole-5-carboxamide

C18H22N6O2S — CID 59481225

IUPAC2-[3-(cyclopropylmethyl)-2-oxoimidazolidin-1-yl]-4-methyl-N-[(5-methylpyrazin-2-yl)methyl]-1,3-thiazole-5-carboxamide
SMILESCc1cnc(CNC(=O)c2sc(N3CCN(CC4CC4)C3=O)nc2C)cn1
InChIInChI=1S/C18H22N6O2S/c1-11-7-20-14(8-19-11)9-21-16(25)15-12(2)22-17(27-15)24-6-5-23(18(24)26)10-13-3-4-13/h7-8,13H,3-6,9-10H2,1-2H3,(H,21,25)
InChIKeySUFXWOSEFINHCX-UHFFFAOYSA-N
MW386.48 g/mol
LogP2.13
Rot. Bonds6

About 2-[3-(cyclopropylmethyl)-2-oxoimidazolidin-1-yl]-4-methyl-N-[(5-methylpyrazin-2-yl)methyl]-1,3-thiazole-5-carboxamide

2-[3-(cyclopropylmethyl)-2-oxoimidazolidin-1-yl]-4-methyl-N-[(5-methylpyrazin-2-yl)methyl]-1,3-thiazole-5-carboxamide (PubChem CID 59481225) has the molecular formula C18H22N6O2S and a molecular weight of 386.48 g/mol. Its IUPAC name is 2-[3-(cyclopropylmethyl)-2-oxoimidazolidin-1-yl]-4-methyl-N-[(5-methylpyrazin-2-yl)methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[3-(cyclopropylmethyl)-2-oxoimidazolidin-1-yl]-4-methyl-N-[(5-methylpyrazin-2-yl)methyl]-1,3-thiazole-5-carboxamide
PubChem CID59481225
Molecular FormulaC18H22N6O2S
Molecular Weight386.48 g/mol
Exact Mass386.15
IUPAC Name2-[3-(cyclopropylmethyl)-2-oxoimidazolidin-1-yl]-4-methyl-N-[(5-methylpyrazin-2-yl)methyl]-1,3-thiazole-5-carboxamide
SMILESCc1cnc(CNC(=O)c2sc(N3CCN(CC4CC4)C3=O)nc2C)cn1
InChIInChI=1S/C18H22N6O2S/c1-11-7-20-14(8-19-11)9-21-16(25)15-12(2)22-17(27-15)24-6-5-23(18(24)26)10-13-3-4-13/h7-8,13H,3-6,9-10H2,1-2H3,(H,21,25)
InChIKeySUFXWOSEFINHCX-UHFFFAOYSA-N
XLogP2.13
TPSA91.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-Hydroxy-2-oxopyridin-1(2H)-yl)-4-methyl-N-((5-methylpyrazin-2-yl)methyl)thiazole-5-carboxamide
CID 57744457
N,N,4-trimethyl-2-({[(1-methyl-1H-imidazol-2-yl)sulfanyl]acetyl}amino)-1,3-thiazole-5-carboxamide
CID 6465558
N-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 47046086
N-(2-imidazol-1-ylethyl)-4-methyl-2-propyl-1,3-thiazole-5-carboxamide
CID 47188444
N-(2-imidazol-1-ylethyl)-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 47188445
4-methyl-N-[2-(pyrazin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide
CID 47283805
2-tert-butyl-N-(2-imidazol-1-ylethyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 48983117
2-ethyl-4-methyl-N-[2-(pyrazin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide
CID 49385088
1-[(2,4-dimethyl-1,3-thiazol-5-yl)carbonyl]-3-(1-ethyl-1H-imidazol-2-yl)piperidine
CID 70769626
2-isopropyl-4-methyl-N-{2-[(1-methyl-1H-imidazol-2-yl)thio]ethyl}-1,3-thiazole-5-carboxamide
CID 72896227
(2-Amino-4-methyl-1,3-thiazol-5-yl)-[3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]methanone
CID 72918627
2-isopropyl-4-methyl-N-[(1-methyl-1H-imidazol-2-yl)methyl]-N-propyl-1,3-thiazole-5-carboxamide
CID 50968252

Frequently Asked Questions

What is the IUPAC name of 2-[3-(cyclopropylmethyl)-2-oxoimidazolidin-1-yl]-4-methyl-N-[(5-methylpyrazin-2-yl)methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[3-(cyclopropylmethyl)-2-oxoimidazolidin-1-yl]-4-methyl-N-[(5-methylpyrazin-2-yl)methyl]-1,3-thiazole-5-carboxamide (CID 59481225) is 2-[3-(cyclopropylmethyl)-2-oxoimidazolidin-1-yl]-4-methyl-N-[(5-methylpyrazin-2-yl)methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[3-(cyclopropylmethyl)-2-oxoimidazolidin-1-yl]-4-methyl-N-[(5-methylpyrazin-2-yl)methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[3-(cyclopropylmethyl)-2-oxoimidazolidin-1-yl]-4-methyl-N-[(5-methylpyrazin-2-yl)methyl]-1,3-thiazole-5-carboxamide is Cc1cnc(CNC(=O)c2sc(N3CCN(CC4CC4)C3=O)nc2C)cn1.
What is the InChIKey of 2-[3-(cyclopropylmethyl)-2-oxoimidazolidin-1-yl]-4-methyl-N-[(5-methylpyrazin-2-yl)methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is SUFXWOSEFINHCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O2S/c1-11-7-20-14(8-19-11)9-21-16(25)15-12(2)22-17(27-15)24-6-5-23(18(24)26)10-13-3-4-13/h7-8,13H,3-6,9-10H2,1-2H3,(H,21,25).
What are the key properties of 2-[3-(cyclopropylmethyl)-2-oxoimidazolidin-1-yl]-4-methyl-N-[(5-methylpyrazin-2-yl)methyl]-1,3-thiazole-5-carboxamide?
2-[3-(cyclopropylmethyl)-2-oxoimidazolidin-1-yl]-4-methyl-N-[(5-methylpyrazin-2-yl)methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 386.48 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(cyclopropylmethyl)-2-oxoimidazolidin-1-yl]-4-methyl-N-[(5-methylpyrazin-2-yl)methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 59481225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).