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

C14H19N3OS — CID 63284242

IUPAC1-cyano-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cycloheptane-1-carboxamide
SMILESCc1ncsc1CNC(=O)C1(C#N)CCCCCC1
InChIInChI=1S/C14H19N3OS/c1-11-12(19-10-17-11)8-16-13(18)14(9-15)6-4-2-3-5-7-14/h10H,2-8H2,1H3,(H,16,18)
InChIKeyDRYHIVITPHVEIG-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.93
Rot. Bonds3

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

1-cyano-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cycloheptane-1-carboxamide (PubChem CID 63284242) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is 1-cyano-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cycloheptane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cycloheptane-1-carboxamide
PubChem CID63284242
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name1-cyano-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cycloheptane-1-carboxamide
SMILESCc1ncsc1CNC(=O)C1(C#N)CCCCCC1
InChIInChI=1S/C14H19N3OS/c1-11-12(19-10-17-11)8-16-13(18)14(9-15)6-4-2-3-5-7-14/h10H,2-8H2,1H3,(H,16,18)
InChIKeyDRYHIVITPHVEIG-UHFFFAOYSA-N
XLogP2.93
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cycloheptane-1-carboxamide?
The IUPAC name of 1-cyano-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cycloheptane-1-carboxamide (CID 63284242) is 1-cyano-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cycloheptane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cycloheptane-1-carboxamide?
The canonical SMILES for 1-cyano-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cycloheptane-1-carboxamide is Cc1ncsc1CNC(=O)C1(C#N)CCCCCC1.
What is the InChIKey of 1-cyano-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cycloheptane-1-carboxamide?
The InChIKey is DRYHIVITPHVEIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-11-12(19-10-17-11)8-16-13(18)14(9-15)6-4-2-3-5-7-14/h10H,2-8H2,1H3,(H,16,18).
What are the key properties of 1-cyano-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cycloheptane-1-carboxamide?
1-cyano-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cycloheptane-1-carboxamide has a molecular weight of 277.39 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cycloheptane-1-carboxamide is sourced from PubChem (CID 63284242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).