4-(2,4-dichlorophenyl)-N-(3,4-dihydro-2H-pyrrol-5-yl)-1,3-thiazol-2-amine;hydrobromide

C13H12BrCl2N3S — CID 171109534

IUPAC4-(2,4-dichlorophenyl)-N-(3,4-dihydro-2H-pyrrol-5-yl)-1,3-thiazol-2-amine;hydrobromide
SMILESBr.Clc1ccc(-c2csc(NC3=NCCC3)n2)c(Cl)c1
InChIInChI=1S/C13H11Cl2N3S.BrH/c14-8-3-4-9(10(15)6-8)11-7-19-13(17-11)18-12-2-1-5-16-12;/h3-4,6-7H,1-2,5H2,(H,16,17,18);1H
InChIKeyKJHNYFCVBRZYII-UHFFFAOYSA-N
MW393.14 g/mol
LogP5.30
Rot. Bonds2

About 4-(2,4-dichlorophenyl)-N-(3,4-dihydro-2H-pyrrol-5-yl)-1,3-thiazol-2-amine;hydrobromide

4-(2,4-dichlorophenyl)-N-(3,4-dihydro-2H-pyrrol-5-yl)-1,3-thiazol-2-amine;hydrobromide (PubChem CID 171109534) has the molecular formula C13H12BrCl2N3S and a molecular weight of 393.14 g/mol. Its IUPAC name is 4-(2,4-dichlorophenyl)-N-(3,4-dihydro-2H-pyrrol-5-yl)-1,3-thiazol-2-amine;hydrobromide.

Molecular Properties

Compound Name4-(2,4-dichlorophenyl)-N-(3,4-dihydro-2H-pyrrol-5-yl)-1,3-thiazol-2-amine;hydrobromide
PubChem CID171109534
Molecular FormulaC13H12BrCl2N3S
Molecular Weight393.14 g/mol
Exact Mass390.93
IUPAC Name4-(2,4-dichlorophenyl)-N-(3,4-dihydro-2H-pyrrol-5-yl)-1,3-thiazol-2-amine;hydrobromide
SMILESBr.Clc1ccc(-c2csc(NC3=NCCC3)n2)c(Cl)c1
InChIInChI=1S/C13H11Cl2N3S.BrH/c14-8-3-4-9(10(15)6-8)11-7-19-13(17-11)18-12-2-1-5-16-12;/h3-4,6-7H,1-2,5H2,(H,16,17,18);1H
InChIKeyKJHNYFCVBRZYII-UHFFFAOYSA-N
XLogP5.30
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.14
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(2,4-dichlorophenyl)-N-(3,4-dihydro-2H-pyrrol-5-yl)-1,3-thiazol-2-amine;hydrobromide with MolForge

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Related Compounds

4-(2-chloro-3-pyridinyl)-N-(2,3,4,5-tetrahydropyridin-6-yl)-1,3-thiazol-2-amine
CID 87196759
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CID 4674763
4-[2-(3,4-difluorophenoxy)phenyl]-N-(2,3,4,5-tetrahydropyridin-6-yl)-1,3-thiazol-2-amine
CID 123536502
2-(4-chlorophenyl)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 1290422
(2S)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide
CID 903662
methyl 2-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]amino]acetate
CID 15458625
N-(2-chlorophenyl)-4-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]-1,3-thiazol-2-amine
CID 2745528
4-(2,4-dichlorophenyl)-1,3-thiazol-2-amine
CID 704237
N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-methylbut-2-enamide
CID 19181152
4-(2,4-dichlorophenyl)-N-(3-nitrophenyl)-1,3-thiazol-2-amine
CID 1340336
3-(4-chlorophenyl)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]propanamide
CID 19220952
4-(2,4-dichlorophenyl)-N-(2-phenylethyl)-1,3-thiazol-2-amine
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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenyl)-N-(3,4-dihydro-2H-pyrrol-5-yl)-1,3-thiazol-2-amine;hydrobromide?
The IUPAC name of 4-(2,4-dichlorophenyl)-N-(3,4-dihydro-2H-pyrrol-5-yl)-1,3-thiazol-2-amine;hydrobromide (CID 171109534) is 4-(2,4-dichlorophenyl)-N-(3,4-dihydro-2H-pyrrol-5-yl)-1,3-thiazol-2-amine;hydrobromide.
What is the SMILES notation for 4-(2,4-dichlorophenyl)-N-(3,4-dihydro-2H-pyrrol-5-yl)-1,3-thiazol-2-amine;hydrobromide?
The canonical SMILES for 4-(2,4-dichlorophenyl)-N-(3,4-dihydro-2H-pyrrol-5-yl)-1,3-thiazol-2-amine;hydrobromide is Br.Clc1ccc(-c2csc(NC3=NCCC3)n2)c(Cl)c1.
What is the InChIKey of 4-(2,4-dichlorophenyl)-N-(3,4-dihydro-2H-pyrrol-5-yl)-1,3-thiazol-2-amine;hydrobromide?
The InChIKey is KJHNYFCVBRZYII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2N3S.BrH/c14-8-3-4-9(10(15)6-8)11-7-19-13(17-11)18-12-2-1-5-16-12;/h3-4,6-7H,1-2,5H2,(H,16,17,18);1H.
What are the key properties of 4-(2,4-dichlorophenyl)-N-(3,4-dihydro-2H-pyrrol-5-yl)-1,3-thiazol-2-amine;hydrobromide?
4-(2,4-dichlorophenyl)-N-(3,4-dihydro-2H-pyrrol-5-yl)-1,3-thiazol-2-amine;hydrobromide has a molecular weight of 393.14 g/mol, XLogP of 5.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenyl)-N-(3,4-dihydro-2H-pyrrol-5-yl)-1,3-thiazol-2-amine;hydrobromide is sourced from PubChem (CID 171109534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).