tert-butyl-[5-[(2-chloro-6-methylphenyl)carbamoyl]-1,3-thiazol-2-yl]carbamic acid

C16H18ClN3O3S — CID 90258431

IUPACtert-butyl-[5-[(2-chloro-6-methylphenyl)carbamoyl]-1,3-thiazol-2-yl]carbamic acid
SMILESCc1cccc(Cl)c1NC(=O)c1cnc(N(C(=O)O)C(C)(C)C)s1
InChIInChI=1S/C16H18ClN3O3S/c1-9-6-5-7-10(17)12(9)19-13(21)11-8-18-14(24-11)20(15(22)23)16(2,3)4/h5-8H,1-4H3,(H,19,21)(H,22,23)
InChIKeyJQCORWREBCJIIH-UHFFFAOYSA-N
MW367.86 g/mol
LogP4.64
Rot. Bonds3

About tert-butyl-[5-[(2-chloro-6-methylphenyl)carbamoyl]-1,3-thiazol-2-yl]carbamic acid

tert-butyl-[5-[(2-chloro-6-methylphenyl)carbamoyl]-1,3-thiazol-2-yl]carbamic acid (PubChem CID 90258431) has the molecular formula C16H18ClN3O3S and a molecular weight of 367.86 g/mol. Its IUPAC name is tert-butyl-[5-[(2-chloro-6-methylphenyl)carbamoyl]-1,3-thiazol-2-yl]carbamic acid.

Molecular Properties

Compound Nametert-butyl-[5-[(2-chloro-6-methylphenyl)carbamoyl]-1,3-thiazol-2-yl]carbamic acid
PubChem CID90258431
Molecular FormulaC16H18ClN3O3S
Molecular Weight367.86 g/mol
Exact Mass367.08
IUPAC Nametert-butyl-[5-[(2-chloro-6-methylphenyl)carbamoyl]-1,3-thiazol-2-yl]carbamic acid
SMILESCc1cccc(Cl)c1NC(=O)c1cnc(N(C(=O)O)C(C)(C)C)s1
InChIInChI=1S/C16H18ClN3O3S/c1-9-6-5-7-10(17)12(9)19-13(21)11-8-18-14(24-11)20(15(22)23)16(2,3)4/h5-8H,1-4H3,(H,19,21)(H,22,23)
InChIKeyJQCORWREBCJIIH-UHFFFAOYSA-N
XLogP4.64
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.86
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chloro-6-methylphenyl)-2-(methylamino)-1,3-thiazole-5-carboxamide;propane
CID 144756148
2-[(6-amino-2-methylpyrimidin-4-yl)-[2-(hydroxyamino)-2-oxoethyl]amino]-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide
CID 24856977
2,6-dichloro-N-(2-chloro-6-methylphenyl)benzamide
CID 4548334
N-(2-chloro-6-methylphenyl)-2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazole-5-carboxamide
CID 11269410
N-(2-chloro-6-methylphenyl)thiophene-2-carboxamide
CID 66254505
N-(2-chloro-6-methylphenyl)-2-[[2-methyl-6-(methylideneamino)pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide
CID 143223112
4-tert-butyl-N-(2-chloro-6-methylphenyl)benzamide
CID 721211
N-(2-chloro-6-methylphenyl)-2-[[4-(2-hydroxyethylamino)-6-phenyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide
CID 88917083
N-(2-chloro-6-methylphenyl)-2-[[6-[[2-(hydroxyamino)-2-oxoethyl]amino]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide
CID 24856897
N-(2-chloro-6-methylphenyl)-1,3-thiazole-4-carboxamide
CID 66255718
5-bromo-N-(2-chloro-6-methylphenyl)pyridine-2-carboxamide
CID 66255147
2-[[4-chloro-6-[[2-[(2-chloro-6-methylphenyl)carbamoyl]-1,3-thiazol-5-yl]amino]-1,3,5-triazin-2-yl]amino]-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide
CID 59600389

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[5-[(2-chloro-6-methylphenyl)carbamoyl]-1,3-thiazol-2-yl]carbamic acid?
The IUPAC name of tert-butyl-[5-[(2-chloro-6-methylphenyl)carbamoyl]-1,3-thiazol-2-yl]carbamic acid (CID 90258431) is tert-butyl-[5-[(2-chloro-6-methylphenyl)carbamoyl]-1,3-thiazol-2-yl]carbamic acid.
What is the SMILES notation for tert-butyl-[5-[(2-chloro-6-methylphenyl)carbamoyl]-1,3-thiazol-2-yl]carbamic acid?
The canonical SMILES for tert-butyl-[5-[(2-chloro-6-methylphenyl)carbamoyl]-1,3-thiazol-2-yl]carbamic acid is Cc1cccc(Cl)c1NC(=O)c1cnc(N(C(=O)O)C(C)(C)C)s1.
What is the InChIKey of tert-butyl-[5-[(2-chloro-6-methylphenyl)carbamoyl]-1,3-thiazol-2-yl]carbamic acid?
The InChIKey is JQCORWREBCJIIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O3S/c1-9-6-5-7-10(17)12(9)19-13(21)11-8-18-14(24-11)20(15(22)23)16(2,3)4/h5-8H,1-4H3,(H,19,21)(H,22,23).
What are the key properties of tert-butyl-[5-[(2-chloro-6-methylphenyl)carbamoyl]-1,3-thiazol-2-yl]carbamic acid?
tert-butyl-[5-[(2-chloro-6-methylphenyl)carbamoyl]-1,3-thiazol-2-yl]carbamic acid has a molecular weight of 367.86 g/mol, XLogP of 4.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[5-[(2-chloro-6-methylphenyl)carbamoyl]-1,3-thiazol-2-yl]carbamic acid is sourced from PubChem (CID 90258431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).