(4-chloro-2-methylphenyl)methyl N-(3,5-dimethyl-1,2-thiazol-4-yl)carbamate

C14H15ClN2O2S — CID 144534319

IUPAC(4-chloro-2-methylphenyl)methyl N-(3,5-dimethyl-1,2-thiazol-4-yl)carbamate
SMILESCc1cc(Cl)ccc1COC(=O)Nc1c(C)nsc1C
InChIInChI=1S/C14H15ClN2O2S/c1-8-6-12(15)5-4-11(8)7-19-14(18)16-13-9(2)17-20-10(13)3/h4-6H,7H2,1-3H3,(H,16,18)
InChIKeySDXVYUMZQOXHHC-UHFFFAOYSA-N
MW310.81 g/mol
LogP4.47
Rot. Bonds3

About (4-chloro-2-methylphenyl)methyl N-(3,5-dimethyl-1,2-thiazol-4-yl)carbamate

(4-chloro-2-methylphenyl)methyl N-(3,5-dimethyl-1,2-thiazol-4-yl)carbamate (PubChem CID 144534319) has the molecular formula C14H15ClN2O2S and a molecular weight of 310.81 g/mol. Its IUPAC name is (4-chloro-2-methylphenyl)methyl N-(3,5-dimethyl-1,2-thiazol-4-yl)carbamate.

Molecular Properties

Compound Name(4-chloro-2-methylphenyl)methyl N-(3,5-dimethyl-1,2-thiazol-4-yl)carbamate
PubChem CID144534319
Molecular FormulaC14H15ClN2O2S
Molecular Weight310.81 g/mol
Exact Mass310.05
IUPAC Name(4-chloro-2-methylphenyl)methyl N-(3,5-dimethyl-1,2-thiazol-4-yl)carbamate
SMILESCc1cc(Cl)ccc1COC(=O)Nc1c(C)nsc1C
InChIInChI=1S/C14H15ClN2O2S/c1-8-6-12(15)5-4-11(8)7-19-14(18)16-13-9(2)17-20-10(13)3/h4-6H,7H2,1-3H3,(H,16,18)
InChIKeySDXVYUMZQOXHHC-UHFFFAOYSA-N
XLogP4.47
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.81
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-chloro-2-methylphenyl)methyl acetate
CID 91715961
(2,4-dichlorophenyl)methyl N-(3,4-dichlorophenyl)carbamate
CID 27102174
[(2E)-4-chloro-2-ethenylpenta-2,4-dienyl] N-(3,5-dimethyl-1,2-thiazol-4-yl)carbamate
CID 144532908
methyl 1-[4-[4-[4-[(3-chlorophenyl)methoxycarbonylamino]-3-methyl-1,2-thiazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate
CID 71265789
ethyl N-[(4-chloro-2-methylphenyl)carbamoylamino]carbamate
CID 4307615
(4-chloro-2-methylphenyl)methylcarbamic acid
CID 68522575
methyl N-(4-chloro-2-methylphenyl)carbamate
CID 3262623
sodium 1-[4-[4-[4-[(2-chlorophenyl)methoxycarbonylamino]-3-methyl-1,2-thiazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylate
CID 144534000
1-[2-[2-[4-[(2-chlorophenyl)methoxycarbonylamino]-5-methyl-1,2-thiazol-3-yl]ethynyl]-[1,3]oxazolo[5,4-d][1,3]oxazol-5-yl]cyclopropane-1-carboxylic acid
CID 71266966
4-O-[(4-chloro-2-methylphenyl)methyl] 1-O-hexyl benzene-1,4-dicarboxylate
CID 91716173
N-[(4-chloro-2-methylphenyl)methyl]acetamide
CID 67968204
2-(4-chloro-2-methylphenyl)ethanamine;hydrochloride
CID 71089492

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-methylphenyl)methyl N-(3,5-dimethyl-1,2-thiazol-4-yl)carbamate?
The IUPAC name of (4-chloro-2-methylphenyl)methyl N-(3,5-dimethyl-1,2-thiazol-4-yl)carbamate (CID 144534319) is (4-chloro-2-methylphenyl)methyl N-(3,5-dimethyl-1,2-thiazol-4-yl)carbamate.
What is the SMILES notation for (4-chloro-2-methylphenyl)methyl N-(3,5-dimethyl-1,2-thiazol-4-yl)carbamate?
The canonical SMILES for (4-chloro-2-methylphenyl)methyl N-(3,5-dimethyl-1,2-thiazol-4-yl)carbamate is Cc1cc(Cl)ccc1COC(=O)Nc1c(C)nsc1C.
What is the InChIKey of (4-chloro-2-methylphenyl)methyl N-(3,5-dimethyl-1,2-thiazol-4-yl)carbamate?
The InChIKey is SDXVYUMZQOXHHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2S/c1-8-6-12(15)5-4-11(8)7-19-14(18)16-13-9(2)17-20-10(13)3/h4-6H,7H2,1-3H3,(H,16,18).
What are the key properties of (4-chloro-2-methylphenyl)methyl N-(3,5-dimethyl-1,2-thiazol-4-yl)carbamate?
(4-chloro-2-methylphenyl)methyl N-(3,5-dimethyl-1,2-thiazol-4-yl)carbamate has a molecular weight of 310.81 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2-methylphenyl)methyl N-(3,5-dimethyl-1,2-thiazol-4-yl)carbamate is sourced from PubChem (CID 144534319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).