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

C14H17N3OS — CID 119499312

IUPACN-(3-aminobutyl)-2-phenyl-1,3-thiazole-5-carboxamide
SMILESCC(N)CCNC(=O)c1cnc(-c2ccccc2)s1
InChIInChI=1S/C14H17N3OS/c1-10(15)7-8-16-13(18)12-9-17-14(19-12)11-5-3-2-4-6-11/h2-6,9-10H,7-8,15H2,1H3,(H,16,18)
InChIKeyUDRVREWAYAYGSN-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.28
Rot. Bonds5

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

N-(3-aminobutyl)-2-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 119499312) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is N-(3-aminobutyl)-2-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-aminobutyl)-2-phenyl-1,3-thiazole-5-carboxamide
PubChem CID119499312
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC NameN-(3-aminobutyl)-2-phenyl-1,3-thiazole-5-carboxamide
SMILESCC(N)CCNC(=O)c1cnc(-c2ccccc2)s1
InChIInChI=1S/C14H17N3OS/c1-10(15)7-8-16-13(18)12-9-17-14(19-12)11-5-3-2-4-6-11/h2-6,9-10H,7-8,15H2,1H3,(H,16,18)
InChIKeyUDRVREWAYAYGSN-UHFFFAOYSA-N
XLogP2.28
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-aminobutyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 119495185
N-[2-(ethylamino)ethyl]-2-phenyl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119509156
6-[(2-phenyl-1,3-thiazole-5-carbonyl)amino]hexanoic acid
CID 119219821
N-(2-amino-2-ethylbutyl)-2-phenyl-1,3-thiazole-5-carboxamide
CID 119643597
N-(3-aminobutyl)-2-propyl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119499749
N-(1-aminohexan-2-yl)-2-phenyl-1,3-thiazole-5-carboxamide
CID 119668466
N-[3-[2-methoxyethyl(methyl)amino]propyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 86991474
N-(3-hydroxy-3-phenylpropyl)-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 111471875
N-[[2-(hydroxymethyl)phenyl]methyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 110908880
N-(3-methylbutyl)-2-(6-phenyl-1,2-benzoxazol-3-yl)-1,3-thiazole-5-carboxamide
CID 97446524
2-(3,4-difluorophenyl)-N-(3-hydroxy-4-methylpentyl)-1,3-thiazole-5-carboxamide
CID 110021373
N-[2-(ethylamino)ethyl]-2-pyridin-4-yl-1,3-thiazole-5-carboxamide
CID 119505049

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-2-phenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(3-aminobutyl)-2-phenyl-1,3-thiazole-5-carboxamide (CID 119499312) is N-(3-aminobutyl)-2-phenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(3-aminobutyl)-2-phenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(3-aminobutyl)-2-phenyl-1,3-thiazole-5-carboxamide is CC(N)CCNC(=O)c1cnc(-c2ccccc2)s1.
What is the InChIKey of N-(3-aminobutyl)-2-phenyl-1,3-thiazole-5-carboxamide?
The InChIKey is UDRVREWAYAYGSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-10(15)7-8-16-13(18)12-9-17-14(19-12)11-5-3-2-4-6-11/h2-6,9-10H,7-8,15H2,1H3,(H,16,18).
What are the key properties of N-(3-aminobutyl)-2-phenyl-1,3-thiazole-5-carboxamide?
N-(3-aminobutyl)-2-phenyl-1,3-thiazole-5-carboxamide has a molecular weight of 275.38 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-2-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 119499312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).