tert-butyl N-[(2R)-1-[2-(2-methyl-1,3-thiazol-4-yl)anilino]-1-oxopropan-2-yl]carbamate

C18H23N3O3S — CID 119050634

IUPACtert-butyl N-[(2R)-1-[2-(2-methyl-1,3-thiazol-4-yl)anilino]-1-oxopropan-2-yl]carbamate
SMILESCc1nc(-c2ccccc2NC(=O)[C@@H](C)NC(=O)OC(C)(C)C)cs1
InChIInChI=1S/C18H23N3O3S/c1-11(19-17(23)24-18(3,4)5)16(22)21-14-9-7-6-8-13(14)15-10-25-12(2)20-15/h6-11H,1-5H3,(H,19,23)(H,21,22)/t11-/m1/s1
InChIKeyIBSDKSVXBLUXKU-LLVKDONJSA-N
MW361.47 g/mol
LogP3.97
Rot. Bonds4

About tert-butyl N-[(2R)-1-[2-(2-methyl-1,3-thiazol-4-yl)anilino]-1-oxopropan-2-yl]carbamate

tert-butyl N-[(2R)-1-[2-(2-methyl-1,3-thiazol-4-yl)anilino]-1-oxopropan-2-yl]carbamate (PubChem CID 119050634) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is tert-butyl N-[(2R)-1-[2-(2-methyl-1,3-thiazol-4-yl)anilino]-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-1-[2-(2-methyl-1,3-thiazol-4-yl)anilino]-1-oxopropan-2-yl]carbamate
PubChem CID119050634
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC Nametert-butyl N-[(2R)-1-[2-(2-methyl-1,3-thiazol-4-yl)anilino]-1-oxopropan-2-yl]carbamate
SMILESCc1nc(-c2ccccc2NC(=O)[C@@H](C)NC(=O)OC(C)(C)C)cs1
InChIInChI=1S/C18H23N3O3S/c1-11(19-17(23)24-18(3,4)5)16(22)21-14-9-7-6-8-13(14)15-10-25-12(2)20-15/h6-11H,1-5H3,(H,19,23)(H,21,22)/t11-/m1/s1
InChIKeyIBSDKSVXBLUXKU-LLVKDONJSA-N
XLogP3.97
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 ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[(2R)-1-[2-(2-methyl-1,3-thiazol-4-yl)anilino]-1-oxopropan-2-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-propan-2-ylurea
CID 90626941
N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 90626039
tert-butyl N-[(2S)-1-[[1-[2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]naphthalen-1-yl]naphthalen-2-yl]amino]-1-oxopropan-2-yl]carbamate
CID 11592592
CID 123183364
CID 123183364
1-[(2S)-1-hydroxy-4-methoxybutan-2-yl]-3-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]urea
CID 124888592
N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]pyridine-2-carboxamide
CID 90626104
1-(4-fluorophenyl)-3-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]urea
CID 90626921
[2-(2-methyl-1,3-thiazol-4-yl)phenyl]thiourea
CID 169357373
2-(2-fluorophenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 90626191
N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]cyclohexanecarboxamide
CID 90626222
tert-butyl N-[(2S)-1-[2-(4-amino-4-oxobutyl)anilino]-1-oxopropan-2-yl]carbamate
CID 57223733
dimethyl (E)-2-[2-(2-methyl-1,3-thiazol-4-yl)anilino]but-2-enedioate
CID 168569919

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-1-[2-(2-methyl-1,3-thiazol-4-yl)anilino]-1-oxopropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-1-[2-(2-methyl-1,3-thiazol-4-yl)anilino]-1-oxopropan-2-yl]carbamate (CID 119050634) is tert-butyl N-[(2R)-1-[2-(2-methyl-1,3-thiazol-4-yl)anilino]-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-1-[2-(2-methyl-1,3-thiazol-4-yl)anilino]-1-oxopropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-1-[2-(2-methyl-1,3-thiazol-4-yl)anilino]-1-oxopropan-2-yl]carbamate is Cc1nc(-c2ccccc2NC(=O)[C@@H](C)NC(=O)OC(C)(C)C)cs1.
What is the InChIKey of tert-butyl N-[(2R)-1-[2-(2-methyl-1,3-thiazol-4-yl)anilino]-1-oxopropan-2-yl]carbamate?
The InChIKey is IBSDKSVXBLUXKU-LLVKDONJSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-11(19-17(23)24-18(3,4)5)16(22)21-14-9-7-6-8-13(14)15-10-25-12(2)20-15/h6-11H,1-5H3,(H,19,23)(H,21,22)/t11-/m1/s1.
What are the key properties of tert-butyl N-[(2R)-1-[2-(2-methyl-1,3-thiazol-4-yl)anilino]-1-oxopropan-2-yl]carbamate?
tert-butyl N-[(2R)-1-[2-(2-methyl-1,3-thiazol-4-yl)anilino]-1-oxopropan-2-yl]carbamate has a molecular weight of 361.47 g/mol, XLogP of 3.97, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-1-[2-(2-methyl-1,3-thiazol-4-yl)anilino]-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 119050634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).