[4-(1H-pyrrol-3-yl)-1,3-thiazol-2-yl]methanamine

C8H9N3S — CID 82280712

IUPAC[4-(1H-pyrrol-3-yl)-1,3-thiazol-2-yl]methanamine
SMILESNCc1nc(-c2cc[nH]c2)cs1
InChIInChI=1S/C8H9N3S/c9-3-8-11-7(5-12-8)6-1-2-10-4-6/h1-2,4-5,10H,3,9H2
InChIKeyWPHRFSIXFKAPBC-UHFFFAOYSA-N
MW179.25 g/mol
LogP1.60
Rot. Bonds2

About [4-(1H-pyrrol-3-yl)-1,3-thiazol-2-yl]methanamine

[4-(1H-pyrrol-3-yl)-1,3-thiazol-2-yl]methanamine (PubChem CID 82280712) has the molecular formula C8H9N3S and a molecular weight of 179.25 g/mol. Its IUPAC name is [4-(1H-pyrrol-3-yl)-1,3-thiazol-2-yl]methanamine.

Molecular Properties

Compound Name[4-(1H-pyrrol-3-yl)-1,3-thiazol-2-yl]methanamine
PubChem CID82280712
Molecular FormulaC8H9N3S
Molecular Weight179.25 g/mol
Exact Mass179.05
IUPAC Name[4-(1H-pyrrol-3-yl)-1,3-thiazol-2-yl]methanamine
SMILESNCc1nc(-c2cc[nH]c2)cs1
InChIInChI=1S/C8H9N3S/c9-3-8-11-7(5-12-8)6-1-2-10-4-6/h1-2,4-5,10H,3,9H2
InChIKeyWPHRFSIXFKAPBC-UHFFFAOYSA-N
XLogP1.60
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.25
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1H-pyrrol-3-yl)-1,3-thiazol-2-amine
CID 15327676
N,2-dimethyl-1-[4-(1H-pyrrol-3-yl)-1,3-thiazol-2-yl]propan-2-amine
CID 116968788
3-methyl-3-[4-(1H-pyrrol-3-yl)-1,3-thiazol-2-yl]butan-1-amine
CID 116965180
[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methanamine
CID 3299475
4-(1H-pyrrol-3-yl)-2-(trifluoromethyl)-1,3-thiazole
CID 116967685
[4-(1-methylpyrrol-3-yl)-1,3-thiazol-2-yl]methanamine
CID 82281663
[4-(2,3,4,5,6-pentadeuteriophenyl)-1,3-thiazol-2-yl]methanamine;hydrochloride
CID 171380508
[1-[4-(1H-pyrrol-3-yl)-1,3-thiazol-2-yl]cyclopropyl]methanol
CID 116966914
2-[4-[2-(aminomethyl)-1,3-thiazol-4-yl]phenyl]ethanol
CID 177213741
2-[[4-(1H-pyrrol-3-yl)-1,3-thiazol-2-yl]sulfanyl]acetic acid
CID 82292777
3-methyl-2-[4-(1H-pyrrol-3-yl)-1,3-thiazol-2-yl]butan-1-ol
CID 116967340
5-[2-(aminomethyl)-1,3-thiazol-4-yl]-1,3-dimethylbenzimidazol-2-one
CID 96680068

Frequently Asked Questions

What is the IUPAC name of [4-(1H-pyrrol-3-yl)-1,3-thiazol-2-yl]methanamine?
The IUPAC name of [4-(1H-pyrrol-3-yl)-1,3-thiazol-2-yl]methanamine (CID 82280712) is [4-(1H-pyrrol-3-yl)-1,3-thiazol-2-yl]methanamine.
What is the SMILES notation for [4-(1H-pyrrol-3-yl)-1,3-thiazol-2-yl]methanamine?
The canonical SMILES for [4-(1H-pyrrol-3-yl)-1,3-thiazol-2-yl]methanamine is NCc1nc(-c2cc[nH]c2)cs1.
What is the InChIKey of [4-(1H-pyrrol-3-yl)-1,3-thiazol-2-yl]methanamine?
The InChIKey is WPHRFSIXFKAPBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3S/c9-3-8-11-7(5-12-8)6-1-2-10-4-6/h1-2,4-5,10H,3,9H2.
What are the key properties of [4-(1H-pyrrol-3-yl)-1,3-thiazol-2-yl]methanamine?
[4-(1H-pyrrol-3-yl)-1,3-thiazol-2-yl]methanamine has a molecular weight of 179.25 g/mol, XLogP of 1.60, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1H-pyrrol-3-yl)-1,3-thiazol-2-yl]methanamine is sourced from PubChem (CID 82280712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).