[1-[[4-(3-bromophenyl)-1,3-thiazol-2-yl]amino]-3-methoxy-1-oxopropan-2-yl]carbamic acid

C14H14BrN3O4S — CID 155026659

IUPAC[1-[[4-(3-bromophenyl)-1,3-thiazol-2-yl]amino]-3-methoxy-1-oxopropan-2-yl]carbamic acid
SMILESCOCC(NC(=O)O)C(=O)Nc1nc(-c2cccc(Br)c2)cs1
InChIInChI=1S/C14H14BrN3O4S/c1-22-6-10(17-14(20)21)12(19)18-13-16-11(7-23-13)8-3-2-4-9(15)5-8/h2-5,7,10,17H,6H2,1H3,(H,20,21)(H,16,18,19)
InChIKeyRHXFWLZCAUQAJY-UHFFFAOYSA-N
MW400.25 g/mol
LogP2.79
Rot. Bonds6

About [1-[[4-(3-bromophenyl)-1,3-thiazol-2-yl]amino]-3-methoxy-1-oxopropan-2-yl]carbamic acid

[1-[[4-(3-bromophenyl)-1,3-thiazol-2-yl]amino]-3-methoxy-1-oxopropan-2-yl]carbamic acid (PubChem CID 155026659) has the molecular formula C14H14BrN3O4S and a molecular weight of 400.25 g/mol. Its IUPAC name is [1-[[4-(3-bromophenyl)-1,3-thiazol-2-yl]amino]-3-methoxy-1-oxopropan-2-yl]carbamic acid.

Molecular Properties

Compound Name[1-[[4-(3-bromophenyl)-1,3-thiazol-2-yl]amino]-3-methoxy-1-oxopropan-2-yl]carbamic acid
PubChem CID155026659
Molecular FormulaC14H14BrN3O4S
Molecular Weight400.25 g/mol
Exact Mass398.99
IUPAC Name[1-[[4-(3-bromophenyl)-1,3-thiazol-2-yl]amino]-3-methoxy-1-oxopropan-2-yl]carbamic acid
SMILESCOCC(NC(=O)O)C(=O)Nc1nc(-c2cccc(Br)c2)cs1
InChIInChI=1S/C14H14BrN3O4S/c1-22-6-10(17-14(20)21)12(19)18-13-16-11(7-23-13)8-3-2-4-9(15)5-8/h2-5,7,10,17H,6H2,1H3,(H,20,21)(H,16,18,19)
InChIKeyRHXFWLZCAUQAJY-UHFFFAOYSA-N
XLogP2.79
TPSA100.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.25
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze [1-[[4-(3-bromophenyl)-1,3-thiazol-2-yl]amino]-3-methoxy-1-oxopropan-2-yl]carbamic acid with MolForge

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Related Compounds

N-[(2S)-1-[[4-(3-bromophenyl)-1,3-thiazol-2-yl]amino]-3-methoxy-1-oxopropan-2-yl]-1-methylsulfonylpyrrole-3-carboxamide
CID 154667863
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119676953
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-(methylamino)acetamide
CID 166686948
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-(3-methoxyphenoxy)propanamide
CID 19203425
2-amino-N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]pentanamide;hydrochloride
CID 119264520
[(2S)-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]-3-prop-2-enoxypropan-2-yl]carbamic acid
CID 166682037
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-methylbenzamide
CID 19195032
2-(3-bromophenoxy)-N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]acetamide
CID 19196817
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 78775296
[4,4-dimethyl-1-oxo-1-[[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]amino]pentan-2-yl]carbamic acid
CID 155026568
tert-butyl N-[2-[[4-(3-bromophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]carbamate
CID 139370768
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-3,4-dimethoxybenzamide
CID 19195103

Frequently Asked Questions

What is the IUPAC name of [1-[[4-(3-bromophenyl)-1,3-thiazol-2-yl]amino]-3-methoxy-1-oxopropan-2-yl]carbamic acid?
The IUPAC name of [1-[[4-(3-bromophenyl)-1,3-thiazol-2-yl]amino]-3-methoxy-1-oxopropan-2-yl]carbamic acid (CID 155026659) is [1-[[4-(3-bromophenyl)-1,3-thiazol-2-yl]amino]-3-methoxy-1-oxopropan-2-yl]carbamic acid.
What is the SMILES notation for [1-[[4-(3-bromophenyl)-1,3-thiazol-2-yl]amino]-3-methoxy-1-oxopropan-2-yl]carbamic acid?
The canonical SMILES for [1-[[4-(3-bromophenyl)-1,3-thiazol-2-yl]amino]-3-methoxy-1-oxopropan-2-yl]carbamic acid is COCC(NC(=O)O)C(=O)Nc1nc(-c2cccc(Br)c2)cs1.
What is the InChIKey of [1-[[4-(3-bromophenyl)-1,3-thiazol-2-yl]amino]-3-methoxy-1-oxopropan-2-yl]carbamic acid?
The InChIKey is RHXFWLZCAUQAJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O4S/c1-22-6-10(17-14(20)21)12(19)18-13-16-11(7-23-13)8-3-2-4-9(15)5-8/h2-5,7,10,17H,6H2,1H3,(H,20,21)(H,16,18,19).
What are the key properties of [1-[[4-(3-bromophenyl)-1,3-thiazol-2-yl]amino]-3-methoxy-1-oxopropan-2-yl]carbamic acid?
[1-[[4-(3-bromophenyl)-1,3-thiazol-2-yl]amino]-3-methoxy-1-oxopropan-2-yl]carbamic acid has a molecular weight of 400.25 g/mol, XLogP of 2.79, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[4-(3-bromophenyl)-1,3-thiazol-2-yl]amino]-3-methoxy-1-oxopropan-2-yl]carbamic acid is sourced from PubChem (CID 155026659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).