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

C18H21N5O2S — CID 25094877

IUPAC2-[3-(cyclopropylmethyl)-2-oxoimidazolidin-1-yl]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(N2CCN(CC3CC3)C2=O)sc1C(=O)NCc1cccnc1
InChIInChI=1S/C18H21N5O2S/c1-12-15(16(24)20-10-14-3-2-6-19-9-14)26-17(21-12)23-8-7-22(18(23)25)11-13-4-5-13/h2-3,6,9,13H,4-5,7-8,10-11H2,1H3,(H,20,24)
InChIKeyDQJQOFFCCSGWRM-UHFFFAOYSA-N
MW371.47 g/mol
LogP2.43
Rot. Bonds6

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

2-[3-(cyclopropylmethyl)-2-oxoimidazolidin-1-yl]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide (PubChem CID 25094877) has the molecular formula C18H21N5O2S and a molecular weight of 371.47 g/mol. Its IUPAC name is 2-[3-(cyclopropylmethyl)-2-oxoimidazolidin-1-yl]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[3-(cyclopropylmethyl)-2-oxoimidazolidin-1-yl]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
PubChem CID25094877
Molecular FormulaC18H21N5O2S
Molecular Weight371.47 g/mol
Exact Mass371.14
IUPAC Name2-[3-(cyclopropylmethyl)-2-oxoimidazolidin-1-yl]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(N2CCN(CC3CC3)C2=O)sc1C(=O)NCc1cccnc1
InChIInChI=1S/C18H21N5O2S/c1-12-15(16(24)20-10-14-3-2-6-19-9-14)26-17(21-12)23-8-7-22(18(23)25)11-13-4-5-13/h2-3,6,9,13H,4-5,7-8,10-11H2,1H3,(H,20,24)
InChIKeyDQJQOFFCCSGWRM-UHFFFAOYSA-N
XLogP2.43
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.47
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)nicotinamide
CID 804510
1-[4-(3-Methylbutyl)-5-Oxo-6-(Pyridin-3-Yl)-4,5-Dihydro[1,3]thiazolo[5,4-B]pyridin-2-Yl]-3-Prop-2-En-1-Ylurea
CID 71816193
(3-fluorophenyl)-[(1S,5R)-6-[[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]methanone
CID 49862157
2-phenyl-1-[(1R,5S)-6-[[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]ethanone
CID 49862200
3-phenyl-1-[(1R,5S)-6-[[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]propan-1-one
CID 49862241
3-Pyridinecarboxamide, N-[4-(2-pyridinyl)-2-thiazolyl]-
CID 2576416
2-(3-benzyl-2-oxoimidazolidin-1-yl)-4-methyl-N-(pyridin-2-ylmethyl)thiazole-5-carboxamide
CID 25094875
2-(3-(4-fluorobenzyl)-2-oxoimidazolidin-1-yl)-4-methyl-N-(pyridin-3-ylmethyl)thiazole-5-carboxamide
CID 25095149
2-(1-(cyclopropylmethyl)-5-oxo-1H-1,2,4-triazol-4(5H)-yl)-4-methyl-N-(pyridin-3-ylmethyl)thiazole-5-carboxamide
CID 25095675
4-methyl-2-(5-oxo-1-(4,4,4-trifluorobutyl)-1H-1,2,4-triazol-4(5H)-yl)-N-(pyridin-3-ylmethyl)thiazole-5-carboxamide
CID 25095930
(2S)-1-N-[4-methyl-5-(2-pyridin-3-yl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide
CID 44129200
2-[1-[1-(4-fluorophenyl)ethyl]-5-oxo-1,2,4-triazol-4-yl]-4-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 44192371

Frequently Asked Questions

What is the IUPAC name of 2-[3-(cyclopropylmethyl)-2-oxoimidazolidin-1-yl]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[3-(cyclopropylmethyl)-2-oxoimidazolidin-1-yl]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide (CID 25094877) is 2-[3-(cyclopropylmethyl)-2-oxoimidazolidin-1-yl]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[3-(cyclopropylmethyl)-2-oxoimidazolidin-1-yl]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[3-(cyclopropylmethyl)-2-oxoimidazolidin-1-yl]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide is Cc1nc(N2CCN(CC3CC3)C2=O)sc1C(=O)NCc1cccnc1.
What is the InChIKey of 2-[3-(cyclopropylmethyl)-2-oxoimidazolidin-1-yl]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is DQJQOFFCCSGWRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2S/c1-12-15(16(24)20-10-14-3-2-6-19-9-14)26-17(21-12)23-8-7-22(18(23)25)11-13-4-5-13/h2-3,6,9,13H,4-5,7-8,10-11H2,1H3,(H,20,24).
What are the key properties of 2-[3-(cyclopropylmethyl)-2-oxoimidazolidin-1-yl]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide?
2-[3-(cyclopropylmethyl)-2-oxoimidazolidin-1-yl]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 371.47 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(cyclopropylmethyl)-2-oxoimidazolidin-1-yl]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 25094877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).