N-(1-amino-4-methylpentan-2-yl)-2-pyridin-4-yl-1,3-thiazole-5-carboxamide;dihydrochloride

C15H22Cl2N4OS — CID 119585732

IUPACN-(1-amino-4-methylpentan-2-yl)-2-pyridin-4-yl-1,3-thiazole-5-carboxamide;dihydrochloride
SMILESCC(C)CC(CN)NC(=O)c1cnc(-c2ccncc2)s1.Cl.Cl
InChIInChI=1S/C15H20N4OS.2ClH/c1-10(2)7-12(8-16)19-14(20)13-9-18-15(21-13)11-3-5-17-6-4-11;;/h3-6,9-10,12H,7-8,16H2,1-2H3,(H,19,20);2*1H
InChIKeyMTIXOBYVNCPTHP-UHFFFAOYSA-N
MW377.34 g/mol
LogP3.15
Rot. Bonds6

About N-(1-amino-4-methylpentan-2-yl)-2-pyridin-4-yl-1,3-thiazole-5-carboxamide;dihydrochloride

N-(1-amino-4-methylpentan-2-yl)-2-pyridin-4-yl-1,3-thiazole-5-carboxamide;dihydrochloride (PubChem CID 119585732) has the molecular formula C15H22Cl2N4OS and a molecular weight of 377.34 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-2-yl)-2-pyridin-4-yl-1,3-thiazole-5-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)-2-pyridin-4-yl-1,3-thiazole-5-carboxamide;dihydrochloride
PubChem CID119585732
Molecular FormulaC15H22Cl2N4OS
Molecular Weight377.34 g/mol
Exact Mass376.09
IUPAC NameN-(1-amino-4-methylpentan-2-yl)-2-pyridin-4-yl-1,3-thiazole-5-carboxamide;dihydrochloride
SMILESCC(C)CC(CN)NC(=O)c1cnc(-c2ccncc2)s1.Cl.Cl
InChIInChI=1S/C15H20N4OS.2ClH/c1-10(2)7-12(8-16)19-14(20)13-9-18-15(21-13)11-3-5-17-6-4-11;;/h3-6,9-10,12H,7-8,16H2,1-2H3,(H,19,20);2*1H
InChIKeyMTIXOBYVNCPTHP-UHFFFAOYSA-N
XLogP3.15
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.34
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)-2-pyridin-4-yl-1,3-thiazole-5-carboxamide;dihydrochloride?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)-2-pyridin-4-yl-1,3-thiazole-5-carboxamide;dihydrochloride (CID 119585732) is N-(1-amino-4-methylpentan-2-yl)-2-pyridin-4-yl-1,3-thiazole-5-carboxamide;dihydrochloride.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)-2-pyridin-4-yl-1,3-thiazole-5-carboxamide;dihydrochloride?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)-2-pyridin-4-yl-1,3-thiazole-5-carboxamide;dihydrochloride is CC(C)CC(CN)NC(=O)c1cnc(-c2ccncc2)s1.Cl.Cl.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)-2-pyridin-4-yl-1,3-thiazole-5-carboxamide;dihydrochloride?
The InChIKey is MTIXOBYVNCPTHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS.2ClH/c1-10(2)7-12(8-16)19-14(20)13-9-18-15(21-13)11-3-5-17-6-4-11;;/h3-6,9-10,12H,7-8,16H2,1-2H3,(H,19,20);2*1H.
What are the key properties of N-(1-amino-4-methylpentan-2-yl)-2-pyridin-4-yl-1,3-thiazole-5-carboxamide;dihydrochloride?
N-(1-amino-4-methylpentan-2-yl)-2-pyridin-4-yl-1,3-thiazole-5-carboxamide;dihydrochloride has a molecular weight of 377.34 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-methylpentan-2-yl)-2-pyridin-4-yl-1,3-thiazole-5-carboxamide;dihydrochloride is sourced from PubChem (CID 119585732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).