1-amino-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]cyclohexane-1-carboxamide

C13H21N3OS — CID 119891897

IUPAC1-amino-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]cyclohexane-1-carboxamide
SMILESCc1nc(C)c(CNC(=O)C2(N)CCCCC2)s1
InChIInChI=1S/C13H21N3OS/c1-9-11(18-10(2)16-9)8-15-12(17)13(14)6-4-3-5-7-13/h3-8,14H2,1-2H3,(H,15,17)
InChIKeyUTXKMSDVIVFSQP-UHFFFAOYSA-N
MW267.40 g/mol
LogP2.04
Rot. Bonds3

About 1-amino-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]cyclohexane-1-carboxamide

1-amino-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]cyclohexane-1-carboxamide (PubChem CID 119891897) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is 1-amino-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]cyclohexane-1-carboxamide
PubChem CID119891897
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC Name1-amino-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]cyclohexane-1-carboxamide
SMILESCc1nc(C)c(CNC(=O)C2(N)CCCCC2)s1
InChIInChI=1S/C13H21N3OS/c1-9-11(18-10(2)16-9)8-15-12(17)13(14)6-4-3-5-7-13/h3-8,14H2,1-2H3,(H,15,17)
InChIKeyUTXKMSDVIVFSQP-UHFFFAOYSA-N
XLogP2.04
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-[(1-hydroxycycloheptyl)methyl]urea
CID 111507929
1-amino-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119316972
1-cyclopentyl-3-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]urea
CID 71795572
[1-[[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]methyl]cyclohexyl]methanol
CID 112697676
1-amino-N-[(5-methyl-1,3-thiazol-2-yl)methyl]cyclopentane-1-carboxamide
CID 103814785
1-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]cyclobutane-1-carboxamide
CID 81172876
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]prop-2-enamide
CID 131129143
(2S)-2-amino-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]butanamide
CID 119891888
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-methylcyclobutan-1-amine
CID 115765694
N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-(1-hydroxycyclopentyl)acetamide
CID 111520426
1-amino-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119326934
1-amino-N-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]cyclopentane-1-carboxamide
CID 119334066

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]cyclohexane-1-carboxamide (CID 119891897) is 1-amino-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]cyclohexane-1-carboxamide is Cc1nc(C)c(CNC(=O)C2(N)CCCCC2)s1.
What is the InChIKey of 1-amino-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]cyclohexane-1-carboxamide?
The InChIKey is UTXKMSDVIVFSQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-9-11(18-10(2)16-9)8-15-12(17)13(14)6-4-3-5-7-13/h3-8,14H2,1-2H3,(H,15,17).
What are the key properties of 1-amino-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]cyclohexane-1-carboxamide?
1-amino-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]cyclohexane-1-carboxamide has a molecular weight of 267.40 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 119891897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).