[(1S,2R)-2-methoxycyclohexyl] 4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxylate

C16H19N3O3S — CID 94612280

IUPAC[(1S,2R)-2-methoxycyclohexyl] 4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxylate
SMILESCO[C@@H]1CCCC[C@@H]1OC(=O)c1sc(-c2ncccn2)nc1C
InChIInChI=1S/C16H19N3O3S/c1-10-13(23-15(19-10)14-17-8-5-9-18-14)16(20)22-12-7-4-3-6-11(12)21-2/h5,8-9,11-12H,3-4,6-7H2,1-2H3/t11-,12+/m1/s1
InChIKeyPZMYZCAVQPPFFC-NEPJUHHUSA-N
MW333.41 g/mol
LogP3.02
Rot. Bonds4

About [(1S,2R)-2-methoxycyclohexyl] 4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxylate

[(1S,2R)-2-methoxycyclohexyl] 4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxylate (PubChem CID 94612280) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is [(1S,2R)-2-methoxycyclohexyl] 4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Name[(1S,2R)-2-methoxycyclohexyl] 4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxylate
PubChem CID94612280
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC Name[(1S,2R)-2-methoxycyclohexyl] 4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxylate
SMILESCO[C@@H]1CCCC[C@@H]1OC(=O)c1sc(-c2ncccn2)nc1C
InChIInChI=1S/C16H19N3O3S/c1-10-13(23-15(19-10)14-17-8-5-9-18-14)16(20)22-12-7-4-3-6-11(12)21-2/h5,8-9,11-12H,3-4,6-7H2,1-2H3/t11-,12+/m1/s1
InChIKeyPZMYZCAVQPPFFC-NEPJUHHUSA-N
XLogP3.02
TPSA74.20 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [(1S,2R)-2-methoxycyclohexyl] 4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxylate with MolForge

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Related Compounds

[2-(4-cyclohexylphenyl)-2-oxoethyl] 4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxylate
CID 55818201
[(2S)-2-cyclopentylpyrrolidin-1-yl]-(4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone
CID 94637457
(4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 47065787
N-(2-amino-1-cyclohexylethyl)-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide;hydrochloride
CID 119592066
(2-methoxycyclohexyl) 3,5-dimethoxybenzoate
CID 87001615
[4-(cyclopropylmethylamino)piperidin-1-yl]-(4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone
CID 119625359
2-[1-(4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)piperidin-4-yl]acetic acid
CID 119177890
(2-methoxycyclopentyl) 3-cyanothiophene-2-carboxylate
CID 75524000
(5-ethoxycarbonyl-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl)methyl 4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxylate
CID 55994199
(3S,4S)-4-methyl-1-(4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 120952421
methyl 5-acetyl-2-pyrimidin-2-yl-1,3-thiazole-4-carboxylate
CID 106696597
N-[3-(cyclopropanecarbonylamino)phenyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 55814625

Frequently Asked Questions

What is the IUPAC name of [(1S,2R)-2-methoxycyclohexyl] 4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxylate?
The IUPAC name of [(1S,2R)-2-methoxycyclohexyl] 4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxylate (CID 94612280) is [(1S,2R)-2-methoxycyclohexyl] 4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for [(1S,2R)-2-methoxycyclohexyl] 4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxylate?
The canonical SMILES for [(1S,2R)-2-methoxycyclohexyl] 4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxylate is CO[C@@H]1CCCC[C@@H]1OC(=O)c1sc(-c2ncccn2)nc1C.
What is the InChIKey of [(1S,2R)-2-methoxycyclohexyl] 4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxylate?
The InChIKey is PZMYZCAVQPPFFC-NEPJUHHUSA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-10-13(23-15(19-10)14-17-8-5-9-18-14)16(20)22-12-7-4-3-6-11(12)21-2/h5,8-9,11-12H,3-4,6-7H2,1-2H3/t11-,12+/m1/s1.
What are the key properties of [(1S,2R)-2-methoxycyclohexyl] 4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxylate?
[(1S,2R)-2-methoxycyclohexyl] 4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxylate has a molecular weight of 333.41 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R)-2-methoxycyclohexyl] 4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 94612280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).