N-cyclopropyl-4-methyl-2-[(3-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide

C16H18N2O2S — CID 16957722

IUPACN-cyclopropyl-4-methyl-2-[(3-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide
SMILESCc1cccc(OCc2nc(C)c(C(=O)NC3CC3)s2)c1
InChIInChI=1S/C16H18N2O2S/c1-10-4-3-5-13(8-10)20-9-14-17-11(2)15(21-14)16(19)18-12-6-7-12/h3-5,8,12H,6-7,9H2,1-2H3,(H,18,19)
InChIKeyXCVHYRFZPKGILN-UHFFFAOYSA-N
MW302.40 g/mol
LogP3.23
Rot. Bonds5

About N-cyclopropyl-4-methyl-2-[(3-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide

N-cyclopropyl-4-methyl-2-[(3-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide (PubChem CID 16957722) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is N-cyclopropyl-4-methyl-2-[(3-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-4-methyl-2-[(3-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide
PubChem CID16957722
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC NameN-cyclopropyl-4-methyl-2-[(3-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide
SMILESCc1cccc(OCc2nc(C)c(C(=O)NC3CC3)s2)c1
InChIInChI=1S/C16H18N2O2S/c1-10-4-3-5-13(8-10)20-9-14-17-11(2)15(21-14)16(19)18-12-6-7-12/h3-5,8,12H,6-7,9H2,1-2H3,(H,18,19)
InChIKeyXCVHYRFZPKGILN-UHFFFAOYSA-N
XLogP3.23
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cycloheptyl-4-methyl-2-[(3-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide
CID 23612936
2-[(4-chloro-3-methylphenoxy)methyl]-N-cyclopentyl-4-methyl-1,3-thiazole-5-carboxamide
CID 46741141
N-butan-2-yl-4-methyl-2-[(3-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide
CID 23612943
4-methyl-2-[(3-methylphenoxy)methyl]-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazole-5-carboxamide
CID 40840716
N-(3-bromophenyl)-4-methyl-2-[(3-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide
CID 46741122
N-(2-fluorophenyl)-4-methyl-2-[(3-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide
CID 46741091
4-cyclopropyl-2-[(3-methylphenoxy)methyl]-1,3-thiazole-5-carbohydrazide
CID 82436456
4-methyl-2-[(3-methylphenoxy)methyl]-N-(4-propan-2-ylphenyl)-1,3-thiazole-5-carboxamide
CID 46741080
N-(2,5-dimethoxyphenyl)-4-methyl-2-[(3-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide
CID 46741085
ethyl 4-methyl-2-[[4-methyl-2-[(3-methylphenoxy)methyl]-1,3-thiazole-5-carbonyl]amino]-1,3-thiazole-5-carboxylate
CID 46741125
4-methyl-2-[(3-methylphenoxy)methyl]-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 46741096
4-methyl-2-[(3-methylphenoxy)methyl]-1,3-thiazole-5-carbothioamide
CID 82425986

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-methyl-2-[(3-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-cyclopropyl-4-methyl-2-[(3-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide (CID 16957722) is N-cyclopropyl-4-methyl-2-[(3-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-cyclopropyl-4-methyl-2-[(3-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-cyclopropyl-4-methyl-2-[(3-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide is Cc1cccc(OCc2nc(C)c(C(=O)NC3CC3)s2)c1.
What is the InChIKey of N-cyclopropyl-4-methyl-2-[(3-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is XCVHYRFZPKGILN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-10-4-3-5-13(8-10)20-9-14-17-11(2)15(21-14)16(19)18-12-6-7-12/h3-5,8,12H,6-7,9H2,1-2H3,(H,18,19).
What are the key properties of N-cyclopropyl-4-methyl-2-[(3-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide?
N-cyclopropyl-4-methyl-2-[(3-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 302.40 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-methyl-2-[(3-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 16957722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).