4-(aminomethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]cyclohexane-1-carboxamide

C12H19N3O2S — CID 104694631

IUPAC4-(aminomethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]cyclohexane-1-carboxamide
SMILESNCC1CCC(C(=O)NCc2csc(=O)[nH]2)CC1
InChIInChI=1S/C12H19N3O2S/c13-5-8-1-3-9(4-2-8)11(16)14-6-10-7-18-12(17)15-10/h7-9H,1-6,13H2,(H,14,16)(H,15,17)
InChIKeyZXJWTQWQWCHLIW-UHFFFAOYSA-N
MW269.37 g/mol
LogP0.82
Rot. Bonds4

About 4-(aminomethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]cyclohexane-1-carboxamide

4-(aminomethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]cyclohexane-1-carboxamide (PubChem CID 104694631) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]cyclohexane-1-carboxamide
PubChem CID104694631
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Name4-(aminomethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]cyclohexane-1-carboxamide
SMILESNCC1CCC(C(=O)NCc2csc(=O)[nH]2)CC1
InChIInChI=1S/C12H19N3O2S/c13-5-8-1-3-9(4-2-8)11(16)14-6-10-7-18-12(17)15-10/h7-9H,1-6,13H2,(H,14,16)(H,15,17)
InChIKeyZXJWTQWQWCHLIW-UHFFFAOYSA-N
XLogP0.82
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]cyclohexane-1-carboxamide (CID 104694631) is 4-(aminomethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]cyclohexane-1-carboxamide is NCC1CCC(C(=O)NCc2csc(=O)[nH]2)CC1.
What is the InChIKey of 4-(aminomethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]cyclohexane-1-carboxamide?
The InChIKey is ZXJWTQWQWCHLIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c13-5-8-1-3-9(4-2-8)11(16)14-6-10-7-18-12(17)15-10/h7-9H,1-6,13H2,(H,14,16)(H,15,17).
What are the key properties of 4-(aminomethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]cyclohexane-1-carboxamide?
4-(aminomethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]cyclohexane-1-carboxamide has a molecular weight of 269.37 g/mol, XLogP of 0.82, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 104694631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).