tert-butyl N-[4-(phenylcarbamoyl)-1,3-thiazol-2-yl]carbamate

C15H17N3O3S — CID 134297257

IUPACtert-butyl N-[4-(phenylcarbamoyl)-1,3-thiazol-2-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1nc(C(=O)Nc2ccccc2)cs1
InChIInChI=1S/C15H17N3O3S/c1-15(2,3)21-14(20)18-13-17-11(9-22-13)12(19)16-10-7-5-4-6-8-10/h4-9H,1-3H3,(H,16,19)(H,17,18,20)
InChIKeyUCPGYLJVXSMLBU-UHFFFAOYSA-N
MW319.39 g/mol
LogP3.74
Rot. Bonds3

About tert-butyl N-[4-(phenylcarbamoyl)-1,3-thiazol-2-yl]carbamate

tert-butyl N-[4-(phenylcarbamoyl)-1,3-thiazol-2-yl]carbamate (PubChem CID 134297257) has the molecular formula C15H17N3O3S and a molecular weight of 319.39 g/mol. Its IUPAC name is tert-butyl N-[4-(phenylcarbamoyl)-1,3-thiazol-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(phenylcarbamoyl)-1,3-thiazol-2-yl]carbamate
PubChem CID134297257
Molecular FormulaC15H17N3O3S
Molecular Weight319.39 g/mol
Exact Mass319.10
IUPAC Nametert-butyl N-[4-(phenylcarbamoyl)-1,3-thiazol-2-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1nc(C(=O)Nc2ccccc2)cs1
InChIInChI=1S/C15H17N3O3S/c1-15(2,3)21-14(20)18-13-17-11(9-22-13)12(19)16-10-7-5-4-6-8-10/h4-9H,1-3H3,(H,16,19)(H,17,18,20)
InChIKeyUCPGYLJVXSMLBU-UHFFFAOYSA-N
XLogP3.74
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3,3-dichloro-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]prop-2-enoic acid;hydrochloride
CID 88691310
propan-2-yl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-4-carboxylate
CID 133058956
N-(4-methoxyphenyl)-2-(phenylcarbamoylamino)-1,3-thiazole-4-carboxamide
CID 16948201
N-(4-methylphenyl)-2-(phenylcarbamoylamino)-1,3-thiazole-4-carboxamide
CID 16948187
2-[(3,5-dimethoxybenzoyl)amino]-N-phenyl-1,3-thiazole-4-carboxamide
CID 16915246
tert-butyl N-[4-[(E)-1-oxobut-2-en-2-yl]-1,3-thiazol-2-yl]carbamate
CID 88680289
2-[(4-chlorobenzoyl)amino]-N-phenyl-1,3-thiazole-4-carboxamide
CID 16915094
tert-butyl N-[4-[(3-aminophenyl)methylcarbamoyl]-1,3-thiazol-2-yl]carbamate
CID 53397291
2-(ethenylamino)-N-phenyl-1,3-thiazole-4-carboxamide
CID 145187858
3-methoxy-4-[(2-methylpropan-2-yl)oxy]-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]-4-oxobut-2-enoic acid
CID 154331598
(Z)-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]pent-2-enoic acid
CID 10334852
ethyl 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-4-carbonyl]amino]-2-[2-(phenylmethoxycarbonylamino)-1,3-thiazol-4-yl]acetate
CID 135388936

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(phenylcarbamoyl)-1,3-thiazol-2-yl]carbamate?
The IUPAC name of tert-butyl N-[4-(phenylcarbamoyl)-1,3-thiazol-2-yl]carbamate (CID 134297257) is tert-butyl N-[4-(phenylcarbamoyl)-1,3-thiazol-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(phenylcarbamoyl)-1,3-thiazol-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[4-(phenylcarbamoyl)-1,3-thiazol-2-yl]carbamate is CC(C)(C)OC(=O)Nc1nc(C(=O)Nc2ccccc2)cs1.
What is the InChIKey of tert-butyl N-[4-(phenylcarbamoyl)-1,3-thiazol-2-yl]carbamate?
The InChIKey is UCPGYLJVXSMLBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3S/c1-15(2,3)21-14(20)18-13-17-11(9-22-13)12(19)16-10-7-5-4-6-8-10/h4-9H,1-3H3,(H,16,19)(H,17,18,20).
What are the key properties of tert-butyl N-[4-(phenylcarbamoyl)-1,3-thiazol-2-yl]carbamate?
tert-butyl N-[4-(phenylcarbamoyl)-1,3-thiazol-2-yl]carbamate has a molecular weight of 319.39 g/mol, XLogP of 3.74, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(phenylcarbamoyl)-1,3-thiazol-2-yl]carbamate is sourced from PubChem (CID 134297257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).