N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-tert-butylsulfanylacetamide

C15H17BrN2OS2 — CID 112760877

IUPACN-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-tert-butylsulfanylacetamide
SMILESCC(C)(C)SCC(=O)Nc1nc(-c2cccc(Br)c2)cs1
InChIInChI=1S/C15H17BrN2OS2/c1-15(2,3)21-9-13(19)18-14-17-12(8-20-14)10-5-4-6-11(16)7-10/h4-8H,9H2,1-3H3,(H,17,18,19)
InChIKeyDJYCKBLHPPQESO-UHFFFAOYSA-N
MW385.35 g/mol
LogP5.04
Rot. Bonds4

About N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-tert-butylsulfanylacetamide

N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-tert-butylsulfanylacetamide (PubChem CID 112760877) has the molecular formula C15H17BrN2OS2 and a molecular weight of 385.35 g/mol. Its IUPAC name is N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-tert-butylsulfanylacetamide.

Molecular Properties

Compound NameN-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-tert-butylsulfanylacetamide
PubChem CID112760877
Molecular FormulaC15H17BrN2OS2
Molecular Weight385.35 g/mol
Exact Mass384.00
IUPAC NameN-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-tert-butylsulfanylacetamide
SMILESCC(C)(C)SCC(=O)Nc1nc(-c2cccc(Br)c2)cs1
InChIInChI=1S/C15H17BrN2OS2/c1-15(2,3)21-9-13(19)18-14-17-12(8-20-14)10-5-4-6-11(16)7-10/h4-8H,9H2,1-3H3,(H,17,18,19)
InChIKeyDJYCKBLHPPQESO-UHFFFAOYSA-N
XLogP5.04
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.35
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-tert-butylsulfanyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide
CID 35874851
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-(methylamino)acetamide
CID 166686948
tert-butyl N-[2-[[4-(3-bromophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]carbamate
CID 139370768
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
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-thiophen-2-ylacetamide
CID 55334183
2-tert-butylsulfanyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide
CID 4798895
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]acetamide
CID 23932146
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-[4-(2-phenylpropan-2-yl)phenoxy]acetamide
CID 19196910
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)acetamide
CID 78775295
2-(benzotriazol-1-yl)-N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]acetamide
CID 55370854

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-tert-butylsulfanylacetamide?
The IUPAC name of N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-tert-butylsulfanylacetamide (CID 112760877) is N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-tert-butylsulfanylacetamide.
What is the SMILES notation for N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-tert-butylsulfanylacetamide?
The canonical SMILES for N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-tert-butylsulfanylacetamide is CC(C)(C)SCC(=O)Nc1nc(-c2cccc(Br)c2)cs1.
What is the InChIKey of N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-tert-butylsulfanylacetamide?
The InChIKey is DJYCKBLHPPQESO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2OS2/c1-15(2,3)21-9-13(19)18-14-17-12(8-20-14)10-5-4-6-11(16)7-10/h4-8H,9H2,1-3H3,(H,17,18,19).
What are the key properties of N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-tert-butylsulfanylacetamide?
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-tert-butylsulfanylacetamide has a molecular weight of 385.35 g/mol, XLogP of 5.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-tert-butylsulfanylacetamide is sourced from PubChem (CID 112760877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).