tert-butyl N-[3-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoyl]phenyl]carbamate

C18H23N3O3S — CID 55734255

IUPACtert-butyl N-[3-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoyl]phenyl]carbamate
SMILESCCc1nc(NC(=O)c2cccc(NC(=O)OC(C)(C)C)c2)sc1C
InChIInChI=1S/C18H23N3O3S/c1-6-14-11(2)25-16(20-14)21-15(22)12-8-7-9-13(10-12)19-17(23)24-18(3,4)5/h7-10H,6H2,1-5H3,(H,19,23)(H,20,21,22)
InChIKeyPRQKLSGZLJNMRV-UHFFFAOYSA-N
MW361.47 g/mol
LogP4.61
Rot. Bonds4

About tert-butyl N-[3-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoyl]phenyl]carbamate

tert-butyl N-[3-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoyl]phenyl]carbamate (PubChem CID 55734255) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is tert-butyl N-[3-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoyl]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoyl]phenyl]carbamate
PubChem CID55734255
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC Nametert-butyl N-[3-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoyl]phenyl]carbamate
SMILESCCc1nc(NC(=O)c2cccc(NC(=O)OC(C)(C)C)c2)sc1C
InChIInChI=1S/C18H23N3O3S/c1-6-14-11(2)25-16(20-14)21-15(22)12-8-7-9-13(10-12)19-17(23)24-18(3,4)5/h7-10H,6H2,1-5H3,(H,19,23)(H,20,21,22)
InChIKeyPRQKLSGZLJNMRV-UHFFFAOYSA-N
XLogP4.61
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamoyl]phenyl]carbamic acid
CID 18416506
tert-butyl N-[3-[[4-(methoxycarbonylamino)phenyl]carbamoyl]phenyl]carbamate
CID 55804923
2,6-dichloro-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)pyridine-4-carboxamide
CID 60786100
tert-butyl N-[3-(tert-butylcarbamoyl)phenyl]carbamate
CID 51204750
N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-hydroxy-3-methylbenzamide
CID 103951800
tert-butyl N-[3-[(2,4-dimethylphenyl)carbamoyl]phenyl]carbamate
CID 7667817
tert-butyl N-[3-[[4-(pyridin-4-ylamino)phenyl]carbamoyl]phenyl]carbamate
CID 166833071
methyl 5-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]amino]-1-benzothiophene-2-carboxylate
CID 142617336
5-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]amino]-1-benzothiophene-2-carboxylic acid
CID 142617172
tert-butyl N-[3-[(4-methylphenyl)methylcarbamoyl]phenyl]carbamate
CID 7669388
3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
CID 6951350
N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2,3-dihydroxybenzamide
CID 114344083

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoyl]phenyl]carbamate?
The IUPAC name of tert-butyl N-[3-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoyl]phenyl]carbamate (CID 55734255) is tert-butyl N-[3-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoyl]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoyl]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoyl]phenyl]carbamate is CCc1nc(NC(=O)c2cccc(NC(=O)OC(C)(C)C)c2)sc1C.
What is the InChIKey of tert-butyl N-[3-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoyl]phenyl]carbamate?
The InChIKey is PRQKLSGZLJNMRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-6-14-11(2)25-16(20-14)21-15(22)12-8-7-9-13(10-12)19-17(23)24-18(3,4)5/h7-10H,6H2,1-5H3,(H,19,23)(H,20,21,22).
What are the key properties of tert-butyl N-[3-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoyl]phenyl]carbamate?
tert-butyl N-[3-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoyl]phenyl]carbamate has a molecular weight of 361.47 g/mol, XLogP of 4.61, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoyl]phenyl]carbamate is sourced from PubChem (CID 55734255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).