N-(1-aminohexan-2-yl)-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxamide

C17H23N3O2S — CID 119667279

IUPACN-(1-aminohexan-2-yl)-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxamide
SMILESCCCCC(CN)NC(=O)c1cnc(-c2ccc(OC)cc2)s1
InChIInChI=1S/C17H23N3O2S/c1-3-4-5-13(10-18)20-16(21)15-11-19-17(23-15)12-6-8-14(22-2)9-7-12/h6-9,11,13H,3-5,10,18H2,1-2H3,(H,20,21)
InChIKeyFMWFRWBIVQKXRA-UHFFFAOYSA-N
MW333.46 g/mol
LogP3.07
Rot. Bonds8

About N-(1-aminohexan-2-yl)-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxamide

N-(1-aminohexan-2-yl)-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxamide (PubChem CID 119667279) has the molecular formula C17H23N3O2S and a molecular weight of 333.46 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxamide
PubChem CID119667279
Molecular FormulaC17H23N3O2S
Molecular Weight333.46 g/mol
Exact Mass333.15
IUPAC NameN-(1-aminohexan-2-yl)-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxamide
SMILESCCCCC(CN)NC(=O)c1cnc(-c2ccc(OC)cc2)s1
InChIInChI=1S/C17H23N3O2S/c1-3-4-5-13(10-18)20-16(21)15-11-19-17(23-15)12-6-8-14(22-2)9-7-12/h6-9,11,13H,3-5,10,18H2,1-2H3,(H,20,21)
InChIKeyFMWFRWBIVQKXRA-UHFFFAOYSA-N
XLogP3.07
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-aminohexan-2-yl)-2-phenyl-1,3-thiazole-5-carboxamide
CID 119668466
N-(1-aminohexan-2-yl)-2-pyridin-4-yl-1,3-thiazole-5-carboxamide
CID 119665216
2-(4-methoxyphenyl)-1,3-thiazole-5-carbohydrazide
CID 82424257
2-(4-methoxyphenyl)-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 96562479
N-benzyl-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxamide
CID 117084347
amino 2-(4-methoxyphenyl)-1,3-thiazole-5-carboxylate
CID 141145829
N-(1-amino-4-methylpentan-2-yl)-2-pyridin-4-yl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119585732
6-[[2-(4-methoxyphenyl)-1,3-thiazole-5-carbonyl]amino]hexanoic acid
CID 119220256
N-(1-aminohexan-2-yl)-5-methoxy-3-methyl-1-benzothiophene-2-carboxamide
CID 119667175
N-(1-aminohexan-2-yl)-2-(3-methoxyphenyl)acetamide;hydrochloride
CID 119664823
N-(1-aminohexan-2-yl)-1-(4-methoxyphenyl)pyrazole-3-carboxamide;hydrochloride
CID 119667825
N-(1-aminohexan-2-yl)-4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119665731

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(1-aminohexan-2-yl)-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxamide (CID 119667279) is N-(1-aminohexan-2-yl)-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(1-aminohexan-2-yl)-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(1-aminohexan-2-yl)-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxamide is CCCCC(CN)NC(=O)c1cnc(-c2ccc(OC)cc2)s1.
What is the InChIKey of N-(1-aminohexan-2-yl)-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxamide?
The InChIKey is FMWFRWBIVQKXRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2S/c1-3-4-5-13(10-18)20-16(21)15-11-19-17(23-15)12-6-8-14(22-2)9-7-12/h6-9,11,13H,3-5,10,18H2,1-2H3,(H,20,21).
What are the key properties of N-(1-aminohexan-2-yl)-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxamide?
N-(1-aminohexan-2-yl)-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxamide has a molecular weight of 333.46 g/mol, XLogP of 3.07, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminohexan-2-yl)-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 119667279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).