1-cyano-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cycloheptane-1-carboxamide

C15H21N3OS — CID 63838678

IUPAC1-cyano-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cycloheptane-1-carboxamide
SMILESCc1ncsc1CN(C)C(=O)C1(C#N)CCCCCC1
InChIInChI=1S/C15H21N3OS/c1-12-13(20-11-17-12)9-18(2)14(19)15(10-16)7-5-3-4-6-8-15/h11H,3-9H2,1-2H3
InChIKeyUUIULRQGWKOUKY-UHFFFAOYSA-N
MW291.42 g/mol
LogP3.27
Rot. Bonds3

About 1-cyano-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cycloheptane-1-carboxamide

1-cyano-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cycloheptane-1-carboxamide (PubChem CID 63838678) has the molecular formula C15H21N3OS and a molecular weight of 291.42 g/mol. Its IUPAC name is 1-cyano-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cycloheptane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cycloheptane-1-carboxamide
PubChem CID63838678
Molecular FormulaC15H21N3OS
Molecular Weight291.42 g/mol
Exact Mass291.14
IUPAC Name1-cyano-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cycloheptane-1-carboxamide
SMILESCc1ncsc1CN(C)C(=O)C1(C#N)CCCCCC1
InChIInChI=1S/C15H21N3OS/c1-12-13(20-11-17-12)9-18(2)14(19)15(10-16)7-5-3-4-6-8-15/h11H,3-9H2,1-2H3
InChIKeyUUIULRQGWKOUKY-UHFFFAOYSA-N
XLogP3.27
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cycloheptane-1-carboxamide?
The IUPAC name of 1-cyano-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cycloheptane-1-carboxamide (CID 63838678) is 1-cyano-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cycloheptane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cycloheptane-1-carboxamide?
The canonical SMILES for 1-cyano-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cycloheptane-1-carboxamide is Cc1ncsc1CN(C)C(=O)C1(C#N)CCCCCC1.
What is the InChIKey of 1-cyano-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cycloheptane-1-carboxamide?
The InChIKey is UUIULRQGWKOUKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OS/c1-12-13(20-11-17-12)9-18(2)14(19)15(10-16)7-5-3-4-6-8-15/h11H,3-9H2,1-2H3.
What are the key properties of 1-cyano-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cycloheptane-1-carboxamide?
1-cyano-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cycloheptane-1-carboxamide has a molecular weight of 291.42 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cycloheptane-1-carboxamide is sourced from PubChem (CID 63838678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).