2-(1-amino-3-methylbutyl)-N-cycloheptyl-1,3-thiazole-4-carboxamide

C16H27N3OS — CID 3849663

IUPAC2-(1-amino-3-methylbutyl)-N-cycloheptyl-1,3-thiazole-4-carboxamide
SMILESCC(C)CC(N)c1nc(C(=O)NC2CCCCCC2)cs1
InChIInChI=1S/C16H27N3OS/c1-11(2)9-13(17)16-19-14(10-21-16)15(20)18-12-7-5-3-4-6-8-12/h10-13H,3-9,17H2,1-2H3,(H,18,20)
InChIKeyKGRGFZOOMNRXSE-UHFFFAOYSA-N
MW309.48 g/mol
LogP3.64
Rot. Bonds5

About 2-(1-amino-3-methylbutyl)-N-cycloheptyl-1,3-thiazole-4-carboxamide

2-(1-amino-3-methylbutyl)-N-cycloheptyl-1,3-thiazole-4-carboxamide (PubChem CID 3849663) has the molecular formula C16H27N3OS and a molecular weight of 309.48 g/mol. Its IUPAC name is 2-(1-amino-3-methylbutyl)-N-cycloheptyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-amino-3-methylbutyl)-N-cycloheptyl-1,3-thiazole-4-carboxamide
PubChem CID3849663
Molecular FormulaC16H27N3OS
Molecular Weight309.48 g/mol
Exact Mass309.19
IUPAC Name2-(1-amino-3-methylbutyl)-N-cycloheptyl-1,3-thiazole-4-carboxamide
SMILESCC(C)CC(N)c1nc(C(=O)NC2CCCCCC2)cs1
InChIInChI=1S/C16H27N3OS/c1-11(2)9-13(17)16-19-14(10-21-16)15(20)18-12-7-5-3-4-6-8-12/h10-13H,3-9,17H2,1-2H3,(H,18,20)
InChIKeyKGRGFZOOMNRXSE-UHFFFAOYSA-N
XLogP3.64
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.48
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-cyclooctyl-1,3-thiazole-4-carboxamide
CID 55116012
N-(4-aminocyclohexyl)-2-propan-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119477267
2-(1-aminoethyl)-N-(3,5-dimethylcyclohexyl)-1,3-thiazole-4-carboxamide
CID 66389960
N-(2-amino-1-cyclohexylethyl)-2-propan-2-yl-1,3-thiazole-4-carboxamide
CID 119590933
2-(1-amino-3-methylsulfanylpropyl)-N-(1-cyclohexylethyl)-1,3-thiazole-4-carboxamide
CID 3861951
2-[(1S)-1-amino-3-methylbutyl]-N-[(3S,7S,8aS)-3-phenyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 163334280
4-N-cyclohexyl-2-N-ethyl-1,3-thiazole-2,4-dicarboxamide
CID 53158336
2-(1-aminoethyl)-N-(2-oxothiolan-3-yl)-1,3-thiazole-4-carboxamide
CID 3855660
2-(1-aminoethyl)-N-hydroxy-1,3-thiazole-4-carboxamide
CID 66389377
2-(1-aminoethyl)-N-(cyclopropylmethyl)-1,3-thiazole-4-carboxamide
CID 66373599
2-[1-(cycloheptylcarbamoylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66373521
2-(2-aminoethyl)-N-(4-propan-2-ylcyclohexyl)-1,3-thiazole-4-carboxamide
CID 120637442

Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-3-methylbutyl)-N-cycloheptyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(1-amino-3-methylbutyl)-N-cycloheptyl-1,3-thiazole-4-carboxamide (CID 3849663) is 2-(1-amino-3-methylbutyl)-N-cycloheptyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(1-amino-3-methylbutyl)-N-cycloheptyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(1-amino-3-methylbutyl)-N-cycloheptyl-1,3-thiazole-4-carboxamide is CC(C)CC(N)c1nc(C(=O)NC2CCCCCC2)cs1.
What is the InChIKey of 2-(1-amino-3-methylbutyl)-N-cycloheptyl-1,3-thiazole-4-carboxamide?
The InChIKey is KGRGFZOOMNRXSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3OS/c1-11(2)9-13(17)16-19-14(10-21-16)15(20)18-12-7-5-3-4-6-8-12/h10-13H,3-9,17H2,1-2H3,(H,18,20).
What are the key properties of 2-(1-amino-3-methylbutyl)-N-cycloheptyl-1,3-thiazole-4-carboxamide?
2-(1-amino-3-methylbutyl)-N-cycloheptyl-1,3-thiazole-4-carboxamide has a molecular weight of 309.48 g/mol, XLogP of 3.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-3-methylbutyl)-N-cycloheptyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 3849663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).