N-[(2-hydroxy-1-methylcyclohexyl)methyl]-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide

C14H23N3O2S — CID 111720171

IUPACN-[(2-hydroxy-1-methylcyclohexyl)methyl]-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide
SMILESCNc1snc(C)c1C(=O)NCC1(C)CCCCC1O
InChIInChI=1S/C14H23N3O2S/c1-9-11(13(15-3)20-17-9)12(19)16-8-14(2)7-5-4-6-10(14)18/h10,15,18H,4-8H2,1-3H3,(H,16,19)
InChIKeyRTEFWNUVVWQAEO-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.16
Rot. Bonds4

About N-[(2-hydroxy-1-methylcyclohexyl)methyl]-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide

N-[(2-hydroxy-1-methylcyclohexyl)methyl]-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide (PubChem CID 111720171) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is N-[(2-hydroxy-1-methylcyclohexyl)methyl]-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2-hydroxy-1-methylcyclohexyl)methyl]-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide
PubChem CID111720171
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC NameN-[(2-hydroxy-1-methylcyclohexyl)methyl]-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide
SMILESCNc1snc(C)c1C(=O)NCC1(C)CCCCC1O
InChIInChI=1S/C14H23N3O2S/c1-9-11(13(15-3)20-17-9)12(19)16-8-14(2)7-5-4-6-10(14)18/h10,15,18H,4-8H2,1-3H3,(H,16,19)
InChIKeyRTEFWNUVVWQAEO-UHFFFAOYSA-N
XLogP2.16
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxy-1-methylcyclohexyl)methyl]-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide?
The IUPAC name of N-[(2-hydroxy-1-methylcyclohexyl)methyl]-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide (CID 111720171) is N-[(2-hydroxy-1-methylcyclohexyl)methyl]-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide.
What is the SMILES notation for N-[(2-hydroxy-1-methylcyclohexyl)methyl]-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide?
The canonical SMILES for N-[(2-hydroxy-1-methylcyclohexyl)methyl]-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide is CNc1snc(C)c1C(=O)NCC1(C)CCCCC1O.
What is the InChIKey of N-[(2-hydroxy-1-methylcyclohexyl)methyl]-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide?
The InChIKey is RTEFWNUVVWQAEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-9-11(13(15-3)20-17-9)12(19)16-8-14(2)7-5-4-6-10(14)18/h10,15,18H,4-8H2,1-3H3,(H,16,19).
What are the key properties of N-[(2-hydroxy-1-methylcyclohexyl)methyl]-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide?
N-[(2-hydroxy-1-methylcyclohexyl)methyl]-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide has a molecular weight of 297.42 g/mol, XLogP of 2.16, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxy-1-methylcyclohexyl)methyl]-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 111720171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).