(4,5-dimethyl-1,3-thiazol-2-yl)-phenylcarbamic acid

C12H12N2O2S — CID 118954162

IUPAC(4,5-dimethyl-1,3-thiazol-2-yl)-phenylcarbamic acid
SMILESCc1nc(N(C(=O)O)c2ccccc2)sc1C
InChIInChI=1S/C12H12N2O2S/c1-8-9(2)17-11(13-8)14(12(15)16)10-6-4-3-5-7-10/h3-7H,1-2H3,(H,15,16)
InChIKeyLLBSYMUGXUEIAV-UHFFFAOYSA-N
MW248.31 g/mol
LogP3.58
Rot. Bonds2

About (4,5-dimethyl-1,3-thiazol-2-yl)-phenylcarbamic acid

(4,5-dimethyl-1,3-thiazol-2-yl)-phenylcarbamic acid (PubChem CID 118954162) has the molecular formula C12H12N2O2S and a molecular weight of 248.31 g/mol. Its IUPAC name is (4,5-dimethyl-1,3-thiazol-2-yl)-phenylcarbamic acid.

Molecular Properties

Compound Name(4,5-dimethyl-1,3-thiazol-2-yl)-phenylcarbamic acid
PubChem CID118954162
Molecular FormulaC12H12N2O2S
Molecular Weight248.31 g/mol
Exact Mass248.06
IUPAC Name(4,5-dimethyl-1,3-thiazol-2-yl)-phenylcarbamic acid
SMILESCc1nc(N(C(=O)O)c2ccccc2)sc1C
InChIInChI=1S/C12H12N2O2S/c1-8-9(2)17-11(13-8)14(12(15)16)10-6-4-3-5-7-10/h3-7H,1-2H3,(H,15,16)
InChIKeyLLBSYMUGXUEIAV-UHFFFAOYSA-N
XLogP3.58
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,5-dimethyl-N-phenyl-1,3-thiazol-2-amine
CID 971435
N-[4-(tert-butyl)-1,3-thiazol-2-yl]-N'-phenylurea
CID 1484524
N-[4-(Chloromethyl)-1,3-thiazol-2-yl]-N-phenylacetamide
CID 306088
N-(4,5-dimethyl-1,3-thiazol-2-yl)-N'-phenylthiourea
CID 874878
2-[(2-anilino-2-oxoethyl)thio]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 935327
(2Z)-3-{2-[N-(2-Fluorophenyl)acetamido]-1,3-thiazol-4-YL}prop-2-enoic acid
CID 7363990
1-[N'-[3-(2-amino-4-methyl-1,3-thiazol-5-yl)propyl]carbamimidoyl]-3-phenylurea
CID 164610421
2-chloro-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylacetamide
CID 2392260
(2E)-3-{2-[acetyl(phenyl)amino]-1,3-thiazol-4-yl}acrylic acid
CID 2079393
N-(4-Phenylcarbamoylmethyl-thiazol-2-yl)-propionamide
CID 656113
1-(4,5,6,7,8,9,10,11,12,13-Decahydrocyclododeca[d][1,3]thiazol-2-yl)-3-phenylurea
CID 1879879
1-[(E)-N'-(4,5-dimethyl-1,3-thiazol-2-yl)carbamimidoyl]-3-(2-methylphenyl)urea
CID 166610801

Frequently Asked Questions

What is the IUPAC name of (4,5-dimethyl-1,3-thiazol-2-yl)-phenylcarbamic acid?
The IUPAC name of (4,5-dimethyl-1,3-thiazol-2-yl)-phenylcarbamic acid (CID 118954162) is (4,5-dimethyl-1,3-thiazol-2-yl)-phenylcarbamic acid.
What is the SMILES notation for (4,5-dimethyl-1,3-thiazol-2-yl)-phenylcarbamic acid?
The canonical SMILES for (4,5-dimethyl-1,3-thiazol-2-yl)-phenylcarbamic acid is Cc1nc(N(C(=O)O)c2ccccc2)sc1C.
What is the InChIKey of (4,5-dimethyl-1,3-thiazol-2-yl)-phenylcarbamic acid?
The InChIKey is LLBSYMUGXUEIAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S/c1-8-9(2)17-11(13-8)14(12(15)16)10-6-4-3-5-7-10/h3-7H,1-2H3,(H,15,16).
What are the key properties of (4,5-dimethyl-1,3-thiazol-2-yl)-phenylcarbamic acid?
(4,5-dimethyl-1,3-thiazol-2-yl)-phenylcarbamic acid has a molecular weight of 248.31 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dimethyl-1,3-thiazol-2-yl)-phenylcarbamic acid is sourced from PubChem (CID 118954162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).