1-amino-N-(3-methyl-1,3-thiazol-2-ylidene)cyclohexane-1-carboxamide

C11H17N3OS — CID 119345931

IUPAC1-amino-N-(3-methyl-1,3-thiazol-2-ylidene)cyclohexane-1-carboxamide
SMILESCn1ccs/c1=N/C(=O)C1(N)CCCCC1
InChIInChI=1S/C11H17N3OS/c1-14-7-8-16-10(14)13-9(15)11(12)5-3-2-4-6-11/h7-8H,2-6,12H2,1H3/b13-10+
InChIKeyOHNFSWQOURIBTO-JLHYYAGUSA-N
MW239.34 g/mol
LogP1.18
Rot. Bonds1

About 1-amino-N-(3-methyl-1,3-thiazol-2-ylidene)cyclohexane-1-carboxamide

1-amino-N-(3-methyl-1,3-thiazol-2-ylidene)cyclohexane-1-carboxamide (PubChem CID 119345931) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is 1-amino-N-(3-methyl-1,3-thiazol-2-ylidene)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-(3-methyl-1,3-thiazol-2-ylidene)cyclohexane-1-carboxamide
PubChem CID119345931
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name1-amino-N-(3-methyl-1,3-thiazol-2-ylidene)cyclohexane-1-carboxamide
SMILESCn1ccs/c1=N/C(=O)C1(N)CCCCC1
InChIInChI=1S/C11H17N3OS/c1-14-7-8-16-10(14)13-9(15)11(12)5-3-2-4-6-11/h7-8H,2-6,12H2,1H3/b13-10+
InChIKeyOHNFSWQOURIBTO-JLHYYAGUSA-N
XLogP1.18
TPSA60.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(3-methyl-1,3-thiazol-2-ylidene)cyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-(3-methyl-1,3-thiazol-2-ylidene)cyclohexane-1-carboxamide (CID 119345931) is 1-amino-N-(3-methyl-1,3-thiazol-2-ylidene)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-(3-methyl-1,3-thiazol-2-ylidene)cyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-(3-methyl-1,3-thiazol-2-ylidene)cyclohexane-1-carboxamide is Cn1ccs/c1=N/C(=O)C1(N)CCCCC1.
What is the InChIKey of 1-amino-N-(3-methyl-1,3-thiazol-2-ylidene)cyclohexane-1-carboxamide?
The InChIKey is OHNFSWQOURIBTO-JLHYYAGUSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-14-7-8-16-10(14)13-9(15)11(12)5-3-2-4-6-11/h7-8H,2-6,12H2,1H3/b13-10+.
What are the key properties of 1-amino-N-(3-methyl-1,3-thiazol-2-ylidene)cyclohexane-1-carboxamide?
1-amino-N-(3-methyl-1,3-thiazol-2-ylidene)cyclohexane-1-carboxamide has a molecular weight of 239.34 g/mol, XLogP of 1.18, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(3-methyl-1,3-thiazol-2-ylidene)cyclohexane-1-carboxamide is sourced from PubChem (CID 119345931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).