4-(2-aminopropyl)-N-(2-bromophenyl)-1,3-thiazol-2-amine

C12H14BrN3S — CID 82020354

IUPAC4-(2-aminopropyl)-N-(2-bromophenyl)-1,3-thiazol-2-amine
SMILESCC(N)Cc1csc(Nc2ccccc2Br)n1
InChIInChI=1S/C12H14BrN3S/c1-8(14)6-9-7-17-12(15-9)16-11-5-3-2-4-10(11)13/h2-5,7-8H,6,14H2,1H3,(H,15,16)
InChIKeyZIFMOEDMVLVRMW-UHFFFAOYSA-N
MW312.24 g/mol
LogP3.54
Rot. Bonds4

About 4-(2-aminopropyl)-N-(2-bromophenyl)-1,3-thiazol-2-amine

4-(2-aminopropyl)-N-(2-bromophenyl)-1,3-thiazol-2-amine (PubChem CID 82020354) has the molecular formula C12H14BrN3S and a molecular weight of 312.24 g/mol. Its IUPAC name is 4-(2-aminopropyl)-N-(2-bromophenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(2-aminopropyl)-N-(2-bromophenyl)-1,3-thiazol-2-amine
PubChem CID82020354
Molecular FormulaC12H14BrN3S
Molecular Weight312.24 g/mol
Exact Mass311.01
IUPAC Name4-(2-aminopropyl)-N-(2-bromophenyl)-1,3-thiazol-2-amine
SMILESCC(N)Cc1csc(Nc2ccccc2Br)n1
InChIInChI=1S/C12H14BrN3S/c1-8(14)6-9-7-17-12(15-9)16-11-5-3-2-4-10(11)13/h2-5,7-8H,6,14H2,1H3,(H,15,16)
InChIKeyZIFMOEDMVLVRMW-UHFFFAOYSA-N
XLogP3.54
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.24
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-aminoethyl)-N-(2-bromophenyl)-1,3-thiazol-2-amine
CID 28711493
methyl 3-[2-(3-bromo-2-methylanilino)-1,3-thiazol-4-yl]propanoate
CID 107638494
1-(2-naphthalen-2-yl-1,3-thiazol-4-yl)propan-2-amine
CID 116888207
3-[2-(2-methylsulfanylanilino)-1,3-thiazol-4-yl]propanoic acid
CID 107647029
1-[2-(5-bromo-2-fluorophenyl)-1,3-thiazol-4-yl]propan-2-amine
CID 116888202
N-methyl-4-(2-methylpropyl)-1,3-thiazol-2-amine
CID 59665191
N-[4-(2-aminopropyl)-1,3-thiazol-2-yl]-3,5-dinitrobenzamide
CID 110832067
N-(4-bromophenyl)-4-ethyl-1,3-thiazol-2-amine
CID 22347320
methyl 2-[2-(2-fluoroanilino)-1,3-thiazol-4-yl]acetate
CID 112724634
ethyl 2-[2-(2-bromo-5-methoxyanilino)-1,3-thiazol-4-yl]acetate
CID 80574636
1-[2-(2-ethoxypropan-2-yl)-1,3-thiazol-4-yl]propan-2-amine
CID 102929371
N-ethyl-4-(2-methylpropyl)-1,3-thiazol-2-amine
CID 58115634

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminopropyl)-N-(2-bromophenyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(2-aminopropyl)-N-(2-bromophenyl)-1,3-thiazol-2-amine (CID 82020354) is 4-(2-aminopropyl)-N-(2-bromophenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(2-aminopropyl)-N-(2-bromophenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(2-aminopropyl)-N-(2-bromophenyl)-1,3-thiazol-2-amine is CC(N)Cc1csc(Nc2ccccc2Br)n1.
What is the InChIKey of 4-(2-aminopropyl)-N-(2-bromophenyl)-1,3-thiazol-2-amine?
The InChIKey is ZIFMOEDMVLVRMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3S/c1-8(14)6-9-7-17-12(15-9)16-11-5-3-2-4-10(11)13/h2-5,7-8H,6,14H2,1H3,(H,15,16).
What are the key properties of 4-(2-aminopropyl)-N-(2-bromophenyl)-1,3-thiazol-2-amine?
4-(2-aminopropyl)-N-(2-bromophenyl)-1,3-thiazol-2-amine has a molecular weight of 312.24 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminopropyl)-N-(2-bromophenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 82020354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).