(3-phenylimidazo[5,1-b][1,3]thiazol-5-yl)methanamine

C12H11N3S — CID 82275354

IUPAC(3-phenylimidazo[5,1-b][1,3]thiazol-5-yl)methanamine
SMILESNCc1ncc2scc(-c3ccccc3)n12
InChIInChI=1S/C12H11N3S/c13-6-11-14-7-12-15(11)10(8-16-12)9-4-2-1-3-5-9/h1-5,7-8H,6,13H2
InChIKeySBPFJWPKSRPZMD-UHFFFAOYSA-N
MW229.31 g/mol
LogP2.52
Rot. Bonds2

About (3-phenylimidazo[5,1-b][1,3]thiazol-5-yl)methanamine

(3-phenylimidazo[5,1-b][1,3]thiazol-5-yl)methanamine (PubChem CID 82275354) has the molecular formula C12H11N3S and a molecular weight of 229.31 g/mol. Its IUPAC name is (3-phenylimidazo[5,1-b][1,3]thiazol-5-yl)methanamine.

Molecular Properties

Compound Name(3-phenylimidazo[5,1-b][1,3]thiazol-5-yl)methanamine
PubChem CID82275354
Molecular FormulaC12H11N3S
Molecular Weight229.31 g/mol
Exact Mass229.07
IUPAC Name(3-phenylimidazo[5,1-b][1,3]thiazol-5-yl)methanamine
SMILESNCc1ncc2scc(-c3ccccc3)n12
InChIInChI=1S/C12H11N3S/c13-6-11-14-7-12-15(11)10(8-16-12)9-4-2-1-3-5-9/h1-5,7-8H,6,13H2
InChIKeySBPFJWPKSRPZMD-UHFFFAOYSA-N
XLogP2.52
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.31
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(3,4-difluorophenyl)imidazo[5,1-b][1,3]thiazol-5-yl]methanamine
CID 82486603
2-(3-phenylimidazo[2,1-b][1,3]thiazol-5-yl)acetic acid
CID 82062239
3-(4-fluorophenyl)imidazo[5,1-b][1,3]thiazol-5-amine
CID 82475478
(3-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methanol
CID 82061842
5-bromo-3-phenylimidazo[2,1-b][1,3]thiazole
CID 165493348
6-ethyl-3-phenylimidazo[2,1-b][1,3]thiazol-5-amine
CID 82372908
3-benzyl-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole
CID 86260022
1-(1-methyl-5-phenylimidazol-2-yl)propan-2-amine
CID 83849134
3,6-diphenylimidazo[2,1-b][1,3]thiazol-5-amine
CID 82068552
3-(4-phenylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39199056
3-methylsulfanyl-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole
CID 30222922
3,5,6-triphenylimidazo[2,1-b][1,3]thiazole
CID 10760466

Frequently Asked Questions

What is the IUPAC name of (3-phenylimidazo[5,1-b][1,3]thiazol-5-yl)methanamine?
The IUPAC name of (3-phenylimidazo[5,1-b][1,3]thiazol-5-yl)methanamine (CID 82275354) is (3-phenylimidazo[5,1-b][1,3]thiazol-5-yl)methanamine.
What is the SMILES notation for (3-phenylimidazo[5,1-b][1,3]thiazol-5-yl)methanamine?
The canonical SMILES for (3-phenylimidazo[5,1-b][1,3]thiazol-5-yl)methanamine is NCc1ncc2scc(-c3ccccc3)n12.
What is the InChIKey of (3-phenylimidazo[5,1-b][1,3]thiazol-5-yl)methanamine?
The InChIKey is SBPFJWPKSRPZMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3S/c13-6-11-14-7-12-15(11)10(8-16-12)9-4-2-1-3-5-9/h1-5,7-8H,6,13H2.
What are the key properties of (3-phenylimidazo[5,1-b][1,3]thiazol-5-yl)methanamine?
(3-phenylimidazo[5,1-b][1,3]thiazol-5-yl)methanamine has a molecular weight of 229.31 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-phenylimidazo[5,1-b][1,3]thiazol-5-yl)methanamine is sourced from PubChem (CID 82275354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).