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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(cyclopropylmethyl)-4-(4-fluorophenyl)-1,3-thiazol-2-amine
CID 133371002
5-[2-(cyclopropylmethylamino)-1,3-thiazol-4-yl]pyridine-2-carbonitrile
CID 59828899
6-[2-(cyclopropylmethylamino)-1,3-thiazol-4-yl]-3-methyl-1,3-benzoxazol-2-one
CID 154843667
N-(cyclopropylmethyl)-4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine
CID 141165466
[4-(4-bromophenyl)-1,3-thiazol-2-yl]hydrazine;hydrochloride
CID 90481496
N-[1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]ethyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119812966
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]cyclobutanecarboxamide
CID 1225742
(2S)-2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]propan-1-ol
CID 86618575
2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]-2-methylpropan-1-ol
CID 87617935
4-(4-bromophenyl)-N-(1-methoxycyclopropyl)-1,3-thiazol-2-amine
CID 174574840
2-(cyclopropylmethylamino)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 119676910
2-bromo-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]acetamide
CID 87665337

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).