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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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).