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

C16H21N3OS — CID 119668466

IUPACN-(1-aminohexan-2-yl)-2-phenyl-1,3-thiazole-5-carboxamide
SMILESCCCCC(CN)NC(=O)c1cnc(-c2ccccc2)s1
InChIInChI=1S/C16H21N3OS/c1-2-3-9-13(10-17)19-15(20)14-11-18-16(21-14)12-7-5-4-6-8-12/h4-8,11,13H,2-3,9-10,17H2,1H3,(H,19,20)
InChIKeyDSZZHNXVFCXGTD-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.06
Rot. Bonds7

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

N-(1-aminohexan-2-yl)-2-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 119668466) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-2-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-2-phenyl-1,3-thiazole-5-carboxamide
PubChem CID119668466
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC NameN-(1-aminohexan-2-yl)-2-phenyl-1,3-thiazole-5-carboxamide
SMILESCCCCC(CN)NC(=O)c1cnc(-c2ccccc2)s1
InChIInChI=1S/C16H21N3OS/c1-2-3-9-13(10-17)19-15(20)14-11-18-16(21-14)12-7-5-4-6-8-12/h4-8,11,13H,2-3,9-10,17H2,1H3,(H,19,20)
InChIKeyDSZZHNXVFCXGTD-UHFFFAOYSA-N
XLogP3.06
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-aminohexan-2-yl)-2-pyridin-4-yl-1,3-thiazole-5-carboxamide
CID 119665216
N-(1-aminohexan-2-yl)-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxamide
CID 119667279
N-(3-aminobutyl)-2-phenyl-1,3-thiazole-5-carboxamide
CID 119499312
N-(1-amino-4-methylpentan-2-yl)-2-pyridin-4-yl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119585732
N-(1-aminohexan-2-yl)-1-benzothiophene-2-carboxamide;hydrochloride
CID 119665559
2-amino-N-(1-aminohexan-2-yl)benzamide
CID 122080973
N-(2-amino-2-ethylbutyl)-2-phenyl-1,3-thiazole-5-carboxamide
CID 119643597
N-(dicyclopropylmethyl)-2-phenyl-1,3-thiazole-5-carboxamide
CID 86991209
N-(1-aminohexan-2-yl)-2-benzylbenzamide
CID 119666866
N-(1-aminohexan-2-yl)-1-benzylpyrazole-4-carboxamide
CID 119666355
N-[2-(ethylamino)ethyl]-2-phenyl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119509156
2-[(2-methyl-1,3-thiazole-5-carbonyl)amino]hexanoic acid
CID 104543694

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-2-phenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(1-aminohexan-2-yl)-2-phenyl-1,3-thiazole-5-carboxamide (CID 119668466) is N-(1-aminohexan-2-yl)-2-phenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(1-aminohexan-2-yl)-2-phenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(1-aminohexan-2-yl)-2-phenyl-1,3-thiazole-5-carboxamide is CCCCC(CN)NC(=O)c1cnc(-c2ccccc2)s1.
What is the InChIKey of N-(1-aminohexan-2-yl)-2-phenyl-1,3-thiazole-5-carboxamide?
The InChIKey is DSZZHNXVFCXGTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-2-3-9-13(10-17)19-15(20)14-11-18-16(21-14)12-7-5-4-6-8-12/h4-8,11,13H,2-3,9-10,17H2,1H3,(H,19,20).
What are the key properties of N-(1-aminohexan-2-yl)-2-phenyl-1,3-thiazole-5-carboxamide?
N-(1-aminohexan-2-yl)-2-phenyl-1,3-thiazole-5-carboxamide has a molecular weight of 303.43 g/mol, XLogP of 3.06, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminohexan-2-yl)-2-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 119668466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).