4-amino-2-[methyl(propyl)amino]-N-(6-methyl-3-pyridinyl)-1,3-thiazole-5-carboxamide

C14H19N5OS — CID 116671678

IUPAC4-amino-2-[methyl(propyl)amino]-N-(6-methyl-3-pyridinyl)-1,3-thiazole-5-carboxamide
SMILESCCCN(C)c1nc(N)c(C(=O)Nc2ccc(C)nc2)s1
InChIInChI=1S/C14H19N5OS/c1-4-7-19(3)14-18-12(15)11(21-14)13(20)17-10-6-5-9(2)16-8-10/h5-6,8H,4,7,15H2,1-3H3,(H,17,20)
InChIKeyYCCMVHDOTWGOHK-UHFFFAOYSA-N
MW305.41 g/mol
LogP2.53
Rot. Bonds5

About 4-amino-2-[methyl(propyl)amino]-N-(6-methyl-3-pyridinyl)-1,3-thiazole-5-carboxamide

4-amino-2-[methyl(propyl)amino]-N-(6-methyl-3-pyridinyl)-1,3-thiazole-5-carboxamide (PubChem CID 116671678) has the molecular formula C14H19N5OS and a molecular weight of 305.41 g/mol. Its IUPAC name is 4-amino-2-[methyl(propyl)amino]-N-(6-methyl-3-pyridinyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-[methyl(propyl)amino]-N-(6-methyl-3-pyridinyl)-1,3-thiazole-5-carboxamide
PubChem CID116671678
Molecular FormulaC14H19N5OS
Molecular Weight305.41 g/mol
Exact Mass305.13
IUPAC Name4-amino-2-[methyl(propyl)amino]-N-(6-methyl-3-pyridinyl)-1,3-thiazole-5-carboxamide
SMILESCCCN(C)c1nc(N)c(C(=O)Nc2ccc(C)nc2)s1
InChIInChI=1S/C14H19N5OS/c1-4-7-19(3)14-18-12(15)11(21-14)13(20)17-10-6-5-9(2)16-8-10/h5-6,8H,4,7,15H2,1-3H3,(H,17,20)
InChIKeyYCCMVHDOTWGOHK-UHFFFAOYSA-N
XLogP2.53
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-2-[ethyl(methyl)amino]-N-(4-methylphenyl)-1,3-thiazole-5-carboxamide
CID 116668817
4-amino-N-(3-fluorophenyl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide
CID 116668450
4-amino-2-[ethyl(methyl)amino]-N-(4-iodophenyl)-1,3-thiazole-5-carboxamide
CID 116669238
4-amino-2-[ethyl(methyl)amino]-N-(2-methylphenyl)-1,3-thiazole-5-carboxamide
CID 116668996
4-amino-2-(dimethylamino)-N-(4-ethoxyphenyl)-1,3-thiazole-5-carboxamide
CID 116667999
4-amino-2-[methyl(propyl)amino]-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide
CID 116669026
4-amino-N-(3-methylbut-2-enyl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide
CID 106199031
4-amino-2-[ethyl(methyl)amino]-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide
CID 116663781
4-amino-N-(1-hydroxy-3-methylbutan-2-yl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide
CID 116671207
4-amino-N-(2-cyclopropylpropyl)-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide
CID 116672850
4-amino-2-[methyl(propyl)amino]-N-(2-thiophen-3-ylethyl)-1,3-thiazole-5-carboxamide
CID 116663802
4-amino-2-[methyl(propyl)amino]-N-[1-(1,3-thiazol-2-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 116666945

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[methyl(propyl)amino]-N-(6-methyl-3-pyridinyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-[methyl(propyl)amino]-N-(6-methyl-3-pyridinyl)-1,3-thiazole-5-carboxamide (CID 116671678) is 4-amino-2-[methyl(propyl)amino]-N-(6-methyl-3-pyridinyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-[methyl(propyl)amino]-N-(6-methyl-3-pyridinyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-[methyl(propyl)amino]-N-(6-methyl-3-pyridinyl)-1,3-thiazole-5-carboxamide is CCCN(C)c1nc(N)c(C(=O)Nc2ccc(C)nc2)s1.
What is the InChIKey of 4-amino-2-[methyl(propyl)amino]-N-(6-methyl-3-pyridinyl)-1,3-thiazole-5-carboxamide?
The InChIKey is YCCMVHDOTWGOHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5OS/c1-4-7-19(3)14-18-12(15)11(21-14)13(20)17-10-6-5-9(2)16-8-10/h5-6,8H,4,7,15H2,1-3H3,(H,17,20).
What are the key properties of 4-amino-2-[methyl(propyl)amino]-N-(6-methyl-3-pyridinyl)-1,3-thiazole-5-carboxamide?
4-amino-2-[methyl(propyl)amino]-N-(6-methyl-3-pyridinyl)-1,3-thiazole-5-carboxamide has a molecular weight of 305.41 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[methyl(propyl)amino]-N-(6-methyl-3-pyridinyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116671678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).