N-(cyclopropylmethyl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3-thiazole-4-carboxamide

C15H14N4OS — CID 58896882

IUPACN-(cyclopropylmethyl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3-thiazole-4-carboxamide
SMILESO=C(NCC1CC1)c1csc(-c2ccnc3[nH]ccc23)n1
InChIInChI=1S/C15H14N4OS/c20-14(18-7-9-1-2-9)12-8-21-15(19-12)11-4-6-17-13-10(11)3-5-16-13/h3-6,8-9H,1-2,7H2,(H,16,17)(H,18,20)
InChIKeyRHHQUUAGTQAXGM-UHFFFAOYSA-N
MW298.37 g/mol
LogP2.83
Rot. Bonds4

About N-(cyclopropylmethyl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3-thiazole-4-carboxamide

N-(cyclopropylmethyl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3-thiazole-4-carboxamide (PubChem CID 58896882) has the molecular formula C15H14N4OS and a molecular weight of 298.37 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3-thiazole-4-carboxamide
PubChem CID58896882
Molecular FormulaC15H14N4OS
Molecular Weight298.37 g/mol
Exact Mass298.09
IUPAC NameN-(cyclopropylmethyl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3-thiazole-4-carboxamide
SMILESO=C(NCC1CC1)c1csc(-c2ccnc3[nH]ccc23)n1
InChIInChI=1S/C15H14N4OS/c20-14(18-7-9-1-2-9)12-8-21-15(19-12)11-4-6-17-13-10(11)3-5-16-13/h3-6,8-9H,1-2,7H2,(H,16,17)(H,18,20)
InChIKeyRHHQUUAGTQAXGM-UHFFFAOYSA-N
XLogP2.83
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-aminoethyl)-N-(cyclopropylmethyl)-1,3-thiazole-4-carboxamide
CID 66373599
N-(cyclopropylmethyl)-2-[2-[(3,4-dichlorophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxamide
CID 46068253
2-[2-chloro-4-[(2-chlorophenyl)methoxy]phenyl]-N-(cyclopropylmethyl)-1,3-thiazole-4-carboxamide
CID 46068117
N-[(3-hydroxycyclopentyl)methyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 103280451
N-(cyclopropylmethyl)-4-methyl-3-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)benzamide
CID 166231513
2-[4-[(3-chlorophenyl)methoxy]phenyl]-N-(cyclopropylmethyl)-1,3-thiazole-4-carboxamide
CID 46067877
2-phenyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-1,3-thiazole-4-carboxamide
CID 146078617
2-amino-N-[(4-methylcyclohexyl)methyl]-1,3-thiazole-4-carboxamide
CID 63243415
2-(aminomethyl)-N-(cyclooctylmethyl)-1,3-thiazole-4-carboxamide
CID 119741882
2-(furan-3-yl)-N-(piperidin-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 119464645
2-amino-N-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-1,3-thiazole-4-carboxamide
CID 118795603
2-(4-fluorophenyl)-N-(piperidin-3-ylmethyl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119461121

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3-thiazole-4-carboxamide (CID 58896882) is N-(cyclopropylmethyl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3-thiazole-4-carboxamide is O=C(NCC1CC1)c1csc(-c2ccnc3[nH]ccc23)n1.
What is the InChIKey of N-(cyclopropylmethyl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is RHHQUUAGTQAXGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4OS/c20-14(18-7-9-1-2-9)12-8-21-15(19-12)11-4-6-17-13-10(11)3-5-16-13/h3-6,8-9H,1-2,7H2,(H,16,17)(H,18,20).
What are the key properties of N-(cyclopropylmethyl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3-thiazole-4-carboxamide?
N-(cyclopropylmethyl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 298.37 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 58896882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).