1-(aminomethyl)-N,4-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cyclohexane-1-carboxamide

C15H25N3OS — CID 115442195

IUPAC1-(aminomethyl)-N,4-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cyclohexane-1-carboxamide
SMILESCc1ncsc1CN(C)C(=O)C1(CN)CCC(C)CC1
InChIInChI=1S/C15H25N3OS/c1-11-4-6-15(9-16,7-5-11)14(19)18(3)8-13-12(2)17-10-20-13/h10-11H,4-9,16H2,1-3H3
InChIKeyBSTBZDUZGIAWPD-UHFFFAOYSA-N
MW295.45 g/mol
LogP2.57
Rot. Bonds4

About 1-(aminomethyl)-N,4-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cyclohexane-1-carboxamide

1-(aminomethyl)-N,4-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cyclohexane-1-carboxamide (PubChem CID 115442195) has the molecular formula C15H25N3OS and a molecular weight of 295.45 g/mol. Its IUPAC name is 1-(aminomethyl)-N,4-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N,4-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cyclohexane-1-carboxamide
PubChem CID115442195
Molecular FormulaC15H25N3OS
Molecular Weight295.45 g/mol
Exact Mass295.17
IUPAC Name1-(aminomethyl)-N,4-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cyclohexane-1-carboxamide
SMILESCc1ncsc1CN(C)C(=O)C1(CN)CCC(C)CC1
InChIInChI=1S/C15H25N3OS/c1-11-4-6-15(9-16,7-5-11)14(19)18(3)8-13-12(2)17-10-20-13/h10-11H,4-9,16H2,1-3H3
InChIKeyBSTBZDUZGIAWPD-UHFFFAOYSA-N
XLogP2.57
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N,4-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N,4-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cyclohexane-1-carboxamide (CID 115442195) is 1-(aminomethyl)-N,4-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N,4-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N,4-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cyclohexane-1-carboxamide is Cc1ncsc1CN(C)C(=O)C1(CN)CCC(C)CC1.
What is the InChIKey of 1-(aminomethyl)-N,4-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cyclohexane-1-carboxamide?
The InChIKey is BSTBZDUZGIAWPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3OS/c1-11-4-6-15(9-16,7-5-11)14(19)18(3)8-13-12(2)17-10-20-13/h10-11H,4-9,16H2,1-3H3.
What are the key properties of 1-(aminomethyl)-N,4-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cyclohexane-1-carboxamide?
1-(aminomethyl)-N,4-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cyclohexane-1-carboxamide has a molecular weight of 295.45 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N,4-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 115442195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).