(1-methylcyclohexyl) N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)carbamate

C17H21N3O2S — CID 59580446

IUPAC(1-methylcyclohexyl) N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)carbamate
SMILESCc1nc(-c2cccnc2)sc1NC(=O)OC1(C)CCCCC1
InChIInChI=1S/C17H21N3O2S/c1-12-14(23-15(19-12)13-7-6-10-18-11-13)20-16(21)22-17(2)8-4-3-5-9-17/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,20,21)
InChIKeyHTUPRSBEJQVKTL-UHFFFAOYSA-N
MW331.44 g/mol
LogP4.78
Rot. Bonds3

About (1-methylcyclohexyl) N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)carbamate

(1-methylcyclohexyl) N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)carbamate (PubChem CID 59580446) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is (1-methylcyclohexyl) N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)carbamate.

Molecular Properties

Compound Name(1-methylcyclohexyl) N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)carbamate
PubChem CID59580446
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC Name(1-methylcyclohexyl) N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)carbamate
SMILESCc1nc(-c2cccnc2)sc1NC(=O)OC1(C)CCCCC1
InChIInChI=1S/C17H21N3O2S/c1-12-14(23-15(19-12)13-7-6-10-18-11-13)20-16(21)22-17(2)8-4-3-5-9-17/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,20,21)
InChIKeyHTUPRSBEJQVKTL-UHFFFAOYSA-N
XLogP4.78
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,2-dimethyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-4-oxo-3H-pyran-6-carboxamide
CID 59580781
N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,2-thiazole-5-carboxamide
CID 59580621
N,4-dimethyl-2-pyridin-3-yl-1,3-thiazol-5-amine
CID 59580850
N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-3-methylsulfonylpropanamide
CID 59580935
2,2-dimethyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-3-methylsulfinylpropanamide
CID 59580614
1-formyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)azetidine-2-carboxamide
CID 126635303
N-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-2-pyridin-3-ylacetamide
CID 75503297
tert-butyl N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)carbamate;methane;[methyl-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)amino]-[(2-methylpropan-2-yl)oxy]methanol
CID 159438782
2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)acetamide
CID 23467885
3-(difluoromethylsulfanyl)-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)benzamide
CID 59580977
1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)propan-2-one
CID 82289672
N-methyl-1-[1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)cyclopropyl]methanamine
CID 116886932

Frequently Asked Questions

What is the IUPAC name of (1-methylcyclohexyl) N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)carbamate?
The IUPAC name of (1-methylcyclohexyl) N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)carbamate (CID 59580446) is (1-methylcyclohexyl) N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)carbamate.
What is the SMILES notation for (1-methylcyclohexyl) N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)carbamate?
The canonical SMILES for (1-methylcyclohexyl) N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)carbamate is Cc1nc(-c2cccnc2)sc1NC(=O)OC1(C)CCCCC1.
What is the InChIKey of (1-methylcyclohexyl) N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)carbamate?
The InChIKey is HTUPRSBEJQVKTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-12-14(23-15(19-12)13-7-6-10-18-11-13)20-16(21)22-17(2)8-4-3-5-9-17/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,20,21).
What are the key properties of (1-methylcyclohexyl) N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)carbamate?
(1-methylcyclohexyl) N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)carbamate has a molecular weight of 331.44 g/mol, XLogP of 4.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylcyclohexyl) N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)carbamate is sourced from PubChem (CID 59580446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).