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

C9H7BrN2S — CID 661954

IUPAC4-(2-bromophenyl)-1,3-thiazol-2-amine
SMILESNc1nc(-c2ccccc2Br)cs1
InChIInChI=1S/C9H7BrN2S/c10-7-4-2-1-3-6(7)8-5-13-9(11)12-8/h1-5H,(H2,11,12)
InChIKeyHBAOQMFTWSDKDV-UHFFFAOYSA-N
MW255.14 g/mol
LogP3.15
Rot. Bonds1

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

4-(2-bromophenyl)-1,3-thiazol-2-amine (PubChem CID 661954) has the molecular formula C9H7BrN2S and a molecular weight of 255.14 g/mol. Its IUPAC name is 4-(2-bromophenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(2-bromophenyl)-1,3-thiazol-2-amine
PubChem CID661954
Molecular FormulaC9H7BrN2S
Molecular Weight255.14 g/mol
Exact Mass253.95
IUPAC Name4-(2-bromophenyl)-1,3-thiazol-2-amine
SMILESNc1nc(-c2ccccc2Br)cs1
InChIInChI=1S/C9H7BrN2S/c10-7-4-2-1-3-6(7)8-5-13-9(11)12-8/h1-5H,(H2,11,12)
InChIKeyHBAOQMFTWSDKDV-UHFFFAOYSA-N
XLogP3.15
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.14
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 40302
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CID 76075
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CID 40301
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CID 220174
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CID 244066
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CID 98613
CID 98613
CID 722371
CID 722371
CID 3768902
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CID 584447
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CID 220170
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CID 673685
CID 673685
CID 706326
CID 706326

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromophenyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(2-bromophenyl)-1,3-thiazol-2-amine (CID 661954) is 4-(2-bromophenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(2-bromophenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(2-bromophenyl)-1,3-thiazol-2-amine is Nc1nc(-c2ccccc2Br)cs1.
What is the InChIKey of 4-(2-bromophenyl)-1,3-thiazol-2-amine?
The InChIKey is HBAOQMFTWSDKDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2S/c10-7-4-2-1-3-6(7)8-5-13-9(11)12-8/h1-5H,(H2,11,12).
What are the key properties of 4-(2-bromophenyl)-1,3-thiazol-2-amine?
4-(2-bromophenyl)-1,3-thiazol-2-amine has a molecular weight of 255.14 g/mol, XLogP of 3.15, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromophenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 661954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).