N-(6-amino-3-pyridinyl)-2-methyl-4-(2-methylpropyl)-1,3-thiazole-5-carboxamide;dihydrochloride

C14H20Cl2N4OS — CID 119516597

IUPACN-(6-amino-3-pyridinyl)-2-methyl-4-(2-methylpropyl)-1,3-thiazole-5-carboxamide;dihydrochloride
SMILESCc1nc(CC(C)C)c(C(=O)Nc2ccc(N)nc2)s1.Cl.Cl
InChIInChI=1S/C14H18N4OS.2ClH/c1-8(2)6-11-13(20-9(3)17-11)14(19)18-10-4-5-12(15)16-7-10;;/h4-5,7-8H,6H2,1-3H3,(H2,15,16)(H,18,19);2*1H
InChIKeyPCSSVYWJHVVRKI-UHFFFAOYSA-N
MW363.31 g/mol
LogP3.72
Rot. Bonds4

About N-(6-amino-3-pyridinyl)-2-methyl-4-(2-methylpropyl)-1,3-thiazole-5-carboxamide;dihydrochloride

N-(6-amino-3-pyridinyl)-2-methyl-4-(2-methylpropyl)-1,3-thiazole-5-carboxamide;dihydrochloride (PubChem CID 119516597) has the molecular formula C14H20Cl2N4OS and a molecular weight of 363.31 g/mol. Its IUPAC name is N-(6-amino-3-pyridinyl)-2-methyl-4-(2-methylpropyl)-1,3-thiazole-5-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(6-amino-3-pyridinyl)-2-methyl-4-(2-methylpropyl)-1,3-thiazole-5-carboxamide;dihydrochloride
PubChem CID119516597
Molecular FormulaC14H20Cl2N4OS
Molecular Weight363.31 g/mol
Exact Mass362.07
IUPAC NameN-(6-amino-3-pyridinyl)-2-methyl-4-(2-methylpropyl)-1,3-thiazole-5-carboxamide;dihydrochloride
SMILESCc1nc(CC(C)C)c(C(=O)Nc2ccc(N)nc2)s1.Cl.Cl
InChIInChI=1S/C14H18N4OS.2ClH/c1-8(2)6-11-13(20-9(3)17-11)14(19)18-10-4-5-12(15)16-7-10;;/h4-5,7-8H,6H2,1-3H3,(H2,15,16)(H,18,19);2*1H
InChIKeyPCSSVYWJHVVRKI-UHFFFAOYSA-N
XLogP3.72
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.31
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-((2,2-Dimethylpropanoyl)amino)-N-1,3-thiazol-2-ylpyridine-2-carboxamide
CID 11120251
2-methyl-N-(6-methyl-2-pyridinyl)-5-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide
CID 11558879
2-(3-(cyclopropylmethyl)-2-oxoimidazolidin-1-yl)-4-methyl-N-(pyridin-3-ylmethyl)thiazole-5-carboxamide
CID 25094877
4-Methyl-2-phenyl-thiazole-5-carboxylic acid (6-morpholin-4-yl-pyridin-3-yl)-amide
CID 36145850
2-(3-butyl-2-oxoimidazolidin-1-yl)-4-methyl-N-(pyridin-3-ylmethyl)thiazole-5-carboxamide
CID 59481312
2-(2-methylanilino)-4-phenyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 2307712
{2-[(3-methylphenyl)amino]-4-phenyl(1,3-thiazol-5-yl)}-N-(3-pyridyl)carboxamid e
CID 1180624
2-anilino-4-phenyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 1180751
2-[(2-fluorophenyl)amino]-4-phenyl-N-(pyridin-3-yl)-1,3-thiazole-5-carboxamide
CID 1251301
3-(4-Methyl-pent-3-enoylamino)-pyridine-2-carboxylic acid thiazol-2-ylamide
CID 10881619
3-(5-Methyl-hex-4-enoylamino)-pyridine-2-carboxylic acid thiazol-2-ylamide
CID 10882088
3-(2-Methyl-but-2-enoylamino)-pyridine-2-carboxylic acid thiazol-2-ylamide
CID 10968652

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-3-pyridinyl)-2-methyl-4-(2-methylpropyl)-1,3-thiazole-5-carboxamide;dihydrochloride?
The IUPAC name of N-(6-amino-3-pyridinyl)-2-methyl-4-(2-methylpropyl)-1,3-thiazole-5-carboxamide;dihydrochloride (CID 119516597) is N-(6-amino-3-pyridinyl)-2-methyl-4-(2-methylpropyl)-1,3-thiazole-5-carboxamide;dihydrochloride.
What is the SMILES notation for N-(6-amino-3-pyridinyl)-2-methyl-4-(2-methylpropyl)-1,3-thiazole-5-carboxamide;dihydrochloride?
The canonical SMILES for N-(6-amino-3-pyridinyl)-2-methyl-4-(2-methylpropyl)-1,3-thiazole-5-carboxamide;dihydrochloride is Cc1nc(CC(C)C)c(C(=O)Nc2ccc(N)nc2)s1.Cl.Cl.
What is the InChIKey of N-(6-amino-3-pyridinyl)-2-methyl-4-(2-methylpropyl)-1,3-thiazole-5-carboxamide;dihydrochloride?
The InChIKey is PCSSVYWJHVVRKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS.2ClH/c1-8(2)6-11-13(20-9(3)17-11)14(19)18-10-4-5-12(15)16-7-10;;/h4-5,7-8H,6H2,1-3H3,(H2,15,16)(H,18,19);2*1H.
What are the key properties of N-(6-amino-3-pyridinyl)-2-methyl-4-(2-methylpropyl)-1,3-thiazole-5-carboxamide;dihydrochloride?
N-(6-amino-3-pyridinyl)-2-methyl-4-(2-methylpropyl)-1,3-thiazole-5-carboxamide;dihydrochloride has a molecular weight of 363.31 g/mol, XLogP of 3.72, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-3-pyridinyl)-2-methyl-4-(2-methylpropyl)-1,3-thiazole-5-carboxamide;dihydrochloride is sourced from PubChem (CID 119516597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).