2-amino-N-(5-propyl-1,3-thiazol-2-yl)bicyclo[4.1.0]heptane-7-carboxamide

C14H21N3OS — CID 166278251

IUPAC2-amino-N-(5-propyl-1,3-thiazol-2-yl)bicyclo[4.1.0]heptane-7-carboxamide
SMILESCCCc1cnc(NC(=O)C2C3CCCC(N)C32)s1
InChIInChI=1S/C14H21N3OS/c1-2-4-8-7-16-14(19-8)17-13(18)12-9-5-3-6-10(15)11(9)12/h7,9-12H,2-6,15H2,1H3,(H,16,17,18)
InChIKeyJIQUMUQMSXGFMP-UHFFFAOYSA-N
MW279.41 g/mol
LogP2.41
Rot. Bonds4

About 2-amino-N-(5-propyl-1,3-thiazol-2-yl)bicyclo[4.1.0]heptane-7-carboxamide

2-amino-N-(5-propyl-1,3-thiazol-2-yl)bicyclo[4.1.0]heptane-7-carboxamide (PubChem CID 166278251) has the molecular formula C14H21N3OS and a molecular weight of 279.41 g/mol. Its IUPAC name is 2-amino-N-(5-propyl-1,3-thiazol-2-yl)bicyclo[4.1.0]heptane-7-carboxamide.

Molecular Properties

Compound Name2-amino-N-(5-propyl-1,3-thiazol-2-yl)bicyclo[4.1.0]heptane-7-carboxamide
PubChem CID166278251
Molecular FormulaC14H21N3OS
Molecular Weight279.41 g/mol
Exact Mass279.14
IUPAC Name2-amino-N-(5-propyl-1,3-thiazol-2-yl)bicyclo[4.1.0]heptane-7-carboxamide
SMILESCCCc1cnc(NC(=O)C2C3CCCC(N)C32)s1
InChIInChI=1S/C14H21N3OS/c1-2-4-8-7-16-14(19-8)17-13(18)12-9-5-3-6-10(15)11(9)12/h7,9-12H,2-6,15H2,1H3,(H,16,17,18)
InChIKeyJIQUMUQMSXGFMP-UHFFFAOYSA-N
XLogP2.41
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

9-amino-N-(5-propyl-1,3-thiazol-2-yl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120994092
1-[(5-propyl-1,3-thiazol-2-yl)carbamoyl]piperidine-3-carboxylic acid
CID 122088976
3-amino-N-(5-ethyl-1,3-thiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide
CID 119755294
4-[(5-propyl-1,3-thiazol-2-yl)carbamoylamino]butanoic acid
CID 122088969
N-(5-ethyl-1,3-thiazol-2-yl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 166218577
(5-ethyl-1,3-thiazol-2-yl)carbamic acid
CID 90989275
3-amino-N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxamide;hydrochloride
CID 119698879
N-(5-ethyl-1,3-thiazol-2-yl)azetidine-3-carboxamide;hydrochloride
CID 130678944
N-[5-[(4-amino-3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]butanamide
CID 165475821
N-(5-ethyl-1,3-thiazol-2-yl)-1-methyl-6-oxopiperidine-2-carboxamide
CID 166254325
tert-butyl N-[5-(2-aminoethyl)-1,3-thiazol-2-yl]carbamate;tert-butyl N-(5-propyl-1,3-thiazol-2-yl)carbamate;5-propyl-1,3-thiazol-2-amine;hydrobromide
CID 157072375
1-[1-(5-ethyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-3-(5-propyl-1,3-thiazol-2-yl)urea
CID 126781906

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(5-propyl-1,3-thiazol-2-yl)bicyclo[4.1.0]heptane-7-carboxamide?
The IUPAC name of 2-amino-N-(5-propyl-1,3-thiazol-2-yl)bicyclo[4.1.0]heptane-7-carboxamide (CID 166278251) is 2-amino-N-(5-propyl-1,3-thiazol-2-yl)bicyclo[4.1.0]heptane-7-carboxamide.
What is the SMILES notation for 2-amino-N-(5-propyl-1,3-thiazol-2-yl)bicyclo[4.1.0]heptane-7-carboxamide?
The canonical SMILES for 2-amino-N-(5-propyl-1,3-thiazol-2-yl)bicyclo[4.1.0]heptane-7-carboxamide is CCCc1cnc(NC(=O)C2C3CCCC(N)C32)s1.
What is the InChIKey of 2-amino-N-(5-propyl-1,3-thiazol-2-yl)bicyclo[4.1.0]heptane-7-carboxamide?
The InChIKey is JIQUMUQMSXGFMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3OS/c1-2-4-8-7-16-14(19-8)17-13(18)12-9-5-3-6-10(15)11(9)12/h7,9-12H,2-6,15H2,1H3,(H,16,17,18).
What are the key properties of 2-amino-N-(5-propyl-1,3-thiazol-2-yl)bicyclo[4.1.0]heptane-7-carboxamide?
2-amino-N-(5-propyl-1,3-thiazol-2-yl)bicyclo[4.1.0]heptane-7-carboxamide has a molecular weight of 279.41 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(5-propyl-1,3-thiazol-2-yl)bicyclo[4.1.0]heptane-7-carboxamide is sourced from PubChem (CID 166278251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).