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

C13H13BrN2S — CID 59822262

IUPAC4-(4-bromophenyl)-N-(cyclopropylmethyl)-1,3-thiazol-2-amine
SMILESBrc1ccc(-c2csc(NCC3CC3)n2)cc1
InChIInChI=1S/C13H13BrN2S/c14-11-5-3-10(4-6-11)12-8-17-13(16-12)15-7-9-1-2-9/h3-6,8-9H,1-2,7H2,(H,15,16)
InChIKeyYRZDDZINXTUFBY-UHFFFAOYSA-N
MW309.23 g/mol
LogP4.39
Rot. Bonds4

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

4-(4-bromophenyl)-N-(cyclopropylmethyl)-1,3-thiazol-2-amine (PubChem CID 59822262) has the molecular formula C13H13BrN2S and a molecular weight of 309.23 g/mol. Its IUPAC name is 4-(4-bromophenyl)-N-(cyclopropylmethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-bromophenyl)-N-(cyclopropylmethyl)-1,3-thiazol-2-amine
PubChem CID59822262
Molecular FormulaC13H13BrN2S
Molecular Weight309.23 g/mol
Exact Mass308.00
IUPAC Name4-(4-bromophenyl)-N-(cyclopropylmethyl)-1,3-thiazol-2-amine
SMILESBrc1ccc(-c2csc(NCC3CC3)n2)cc1
InChIInChI=1S/C13H13BrN2S/c14-11-5-3-10(4-6-11)12-8-17-13(16-12)15-7-9-1-2-9/h3-6,8-9H,1-2,7H2,(H,15,16)
InChIKeyYRZDDZINXTUFBY-UHFFFAOYSA-N
XLogP4.39
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.23
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-N-(cyclopropylmethyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-bromophenyl)-N-(cyclopropylmethyl)-1,3-thiazol-2-amine (CID 59822262) is 4-(4-bromophenyl)-N-(cyclopropylmethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-bromophenyl)-N-(cyclopropylmethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-bromophenyl)-N-(cyclopropylmethyl)-1,3-thiazol-2-amine is Brc1ccc(-c2csc(NCC3CC3)n2)cc1.
What is the InChIKey of 4-(4-bromophenyl)-N-(cyclopropylmethyl)-1,3-thiazol-2-amine?
The InChIKey is YRZDDZINXTUFBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2S/c14-11-5-3-10(4-6-11)12-8-17-13(16-12)15-7-9-1-2-9/h3-6,8-9H,1-2,7H2,(H,15,16).
What are the key properties of 4-(4-bromophenyl)-N-(cyclopropylmethyl)-1,3-thiazol-2-amine?
4-(4-bromophenyl)-N-(cyclopropylmethyl)-1,3-thiazol-2-amine has a molecular weight of 309.23 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-N-(cyclopropylmethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 59822262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).