4-amino-2-(propan-2-ylamino)-N-(1-pyridin-3-ylethyl)-1,3-thiazole-5-carboxamide

C14H19N5OS — CID 116669916

IUPAC4-amino-2-(propan-2-ylamino)-N-(1-pyridin-3-ylethyl)-1,3-thiazole-5-carboxamide
SMILESCC(C)Nc1nc(N)c(C(=O)NC(C)c2cccnc2)s1
InChIInChI=1S/C14H19N5OS/c1-8(2)17-14-19-12(15)11(21-14)13(20)18-9(3)10-5-4-6-16-7-10/h4-9H,15H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyJKDBIBMZIDYJGM-UHFFFAOYSA-N
MW305.41 g/mol
LogP2.43
Rot. Bonds5

About 4-amino-2-(propan-2-ylamino)-N-(1-pyridin-3-ylethyl)-1,3-thiazole-5-carboxamide

4-amino-2-(propan-2-ylamino)-N-(1-pyridin-3-ylethyl)-1,3-thiazole-5-carboxamide (PubChem CID 116669916) has the molecular formula C14H19N5OS and a molecular weight of 305.41 g/mol. Its IUPAC name is 4-amino-2-(propan-2-ylamino)-N-(1-pyridin-3-ylethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(propan-2-ylamino)-N-(1-pyridin-3-ylethyl)-1,3-thiazole-5-carboxamide
PubChem CID116669916
Molecular FormulaC14H19N5OS
Molecular Weight305.41 g/mol
Exact Mass305.13
IUPAC Name4-amino-2-(propan-2-ylamino)-N-(1-pyridin-3-ylethyl)-1,3-thiazole-5-carboxamide
SMILESCC(C)Nc1nc(N)c(C(=O)NC(C)c2cccnc2)s1
InChIInChI=1S/C14H19N5OS/c1-8(2)17-14-19-12(15)11(21-14)13(20)18-9(3)10-5-4-6-16-7-10/h4-9H,15H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyJKDBIBMZIDYJGM-UHFFFAOYSA-N
XLogP2.43
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-N-(1-phenylethyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116667931
4-amino-N-methyl-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116667734
4-amino-N-(5-methylhexan-2-yl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116666471
N-(1-pyridin-3-ylethyl)thiophene-2-carboxamide
CID 42889829
5-amino-1-methyl-N-(1-pyridin-3-ylethyl)pyrazole-4-carboxamide
CID 115330422
N-(1-pyridin-3-ylethyl)pyridine-4-carboxamide
CID 51073131
4-amino-N-[1-(4-methoxyphenyl)ethyl]-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 116671117
4-amino-N-(2,6-difluorophenyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116669233
4-amino-N-(6-methylheptan-2-yl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116663763
4-amino-3,5-dichloro-N-[(1S)-1-pyridin-3-ylethyl]benzamide
CID 82833170
1-methyl-3-(1-pyridin-3-ylethyl)urea
CID 115576611
4-amino-N-(1-methylcyclopropyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116672710

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(propan-2-ylamino)-N-(1-pyridin-3-ylethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-(propan-2-ylamino)-N-(1-pyridin-3-ylethyl)-1,3-thiazole-5-carboxamide (CID 116669916) is 4-amino-2-(propan-2-ylamino)-N-(1-pyridin-3-ylethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-(propan-2-ylamino)-N-(1-pyridin-3-ylethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-(propan-2-ylamino)-N-(1-pyridin-3-ylethyl)-1,3-thiazole-5-carboxamide is CC(C)Nc1nc(N)c(C(=O)NC(C)c2cccnc2)s1.
What is the InChIKey of 4-amino-2-(propan-2-ylamino)-N-(1-pyridin-3-ylethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is JKDBIBMZIDYJGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5OS/c1-8(2)17-14-19-12(15)11(21-14)13(20)18-9(3)10-5-4-6-16-7-10/h4-9H,15H2,1-3H3,(H,17,19)(H,18,20).
What are the key properties of 4-amino-2-(propan-2-ylamino)-N-(1-pyridin-3-ylethyl)-1,3-thiazole-5-carboxamide?
4-amino-2-(propan-2-ylamino)-N-(1-pyridin-3-ylethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 305.41 g/mol, XLogP of 2.43, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(propan-2-ylamino)-N-(1-pyridin-3-ylethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116669916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).