N-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-3-ethylsulfanylbenzamide

C16H13BrN2OS3 — CID 41028551

IUPACN-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-3-ethylsulfanylbenzamide
SMILESCCSc1cccc(C(=O)Nc2nc(-c3ccc(Br)s3)cs2)c1
InChIInChI=1S/C16H13BrN2OS3/c1-2-21-11-5-3-4-10(8-11)15(20)19-16-18-12(9-22-16)13-6-7-14(17)23-13/h3-9H,2H2,1H3,(H,18,19,20)
InChIKeySPBZULRPNHRWCY-UHFFFAOYSA-N
MW425.40 g/mol
LogP6.00
Rot. Bonds5

About N-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-3-ethylsulfanylbenzamide

N-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-3-ethylsulfanylbenzamide (PubChem CID 41028551) has the molecular formula C16H13BrN2OS3 and a molecular weight of 425.40 g/mol. Its IUPAC name is N-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-3-ethylsulfanylbenzamide.

Molecular Properties

Compound NameN-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-3-ethylsulfanylbenzamide
PubChem CID41028551
Molecular FormulaC16H13BrN2OS3
Molecular Weight425.40 g/mol
Exact Mass423.94
IUPAC NameN-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-3-ethylsulfanylbenzamide
SMILESCCSc1cccc(C(=O)Nc2nc(-c3ccc(Br)s3)cs2)c1
InChIInChI=1S/C16H13BrN2OS3/c1-2-21-11-5-3-4-10(8-11)15(20)19-16-18-12(9-22-16)13-6-7-14(17)23-13/h3-9H,2H2,1H3,(H,18,19,20)
InChIKeySPBZULRPNHRWCY-UHFFFAOYSA-N
XLogP6.00
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.40
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethylsulfanyl-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzamide
CID 41028556
N-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)benzamide
CID 3638177
N-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-3-cyanobenzamide
CID 9050215
N-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-2-(4-ethylsulfanylphenyl)acetamide
CID 41126599
N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-3-propan-2-ylsulfanylbenzamide
CID 41146697
4-ethylsulfanyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide
CID 7579191
N-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-4-butoxybenzamide
CID 5048299
3-chloro-N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]benzamide
CID 2330663
N-benzo[e][1,3]benzothiazol-2-yl-3-ethylsulfanylbenzamide
CID 41028546
3-ethylsulfanyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 7578763
3-chloro-N-[4-[2-[(3-chlorobenzoyl)amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]benzamide
CID 4684808
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-propan-2-ylsulfanylbenzamide
CID 41146668

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-3-ethylsulfanylbenzamide?
The IUPAC name of N-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-3-ethylsulfanylbenzamide (CID 41028551) is N-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-3-ethylsulfanylbenzamide.
What is the SMILES notation for N-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-3-ethylsulfanylbenzamide?
The canonical SMILES for N-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-3-ethylsulfanylbenzamide is CCSc1cccc(C(=O)Nc2nc(-c3ccc(Br)s3)cs2)c1.
What is the InChIKey of N-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-3-ethylsulfanylbenzamide?
The InChIKey is SPBZULRPNHRWCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2OS3/c1-2-21-11-5-3-4-10(8-11)15(20)19-16-18-12(9-22-16)13-6-7-14(17)23-13/h3-9H,2H2,1H3,(H,18,19,20).
What are the key properties of N-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-3-ethylsulfanylbenzamide?
N-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-3-ethylsulfanylbenzamide has a molecular weight of 425.40 g/mol, XLogP of 6.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-3-ethylsulfanylbenzamide is sourced from PubChem (CID 41028551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).