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

C9H11N3S — CID 82281663

IUPAC[4-(1-methylpyrrol-3-yl)-1,3-thiazol-2-yl]methanamine
SMILESCn1ccc(-c2csc(CN)n2)c1
InChIInChI=1S/C9H11N3S/c1-12-3-2-7(5-12)8-6-13-9(4-10)11-8/h2-3,5-6H,4,10H2,1H3
InChIKeyYDZVSRWGPHLADA-UHFFFAOYSA-N
MW193.27 g/mol
LogP1.61
Rot. Bonds2

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

[4-(1-methylpyrrol-3-yl)-1,3-thiazol-2-yl]methanamine (PubChem CID 82281663) has the molecular formula C9H11N3S and a molecular weight of 193.27 g/mol. Its IUPAC name is [4-(1-methylpyrrol-3-yl)-1,3-thiazol-2-yl]methanamine.

Molecular Properties

Compound Name[4-(1-methylpyrrol-3-yl)-1,3-thiazol-2-yl]methanamine
PubChem CID82281663
Molecular FormulaC9H11N3S
Molecular Weight193.27 g/mol
Exact Mass193.07
IUPAC Name[4-(1-methylpyrrol-3-yl)-1,3-thiazol-2-yl]methanamine
SMILESCn1ccc(-c2csc(CN)n2)c1
InChIInChI=1S/C9H11N3S/c1-12-3-2-7(5-12)8-6-13-9(4-10)11-8/h2-3,5-6H,4,10H2,1H3
InChIKeyYDZVSRWGPHLADA-UHFFFAOYSA-N
XLogP1.61
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(1-methylpyrrol-3-yl)-1,3-thiazol-2-yl]butan-1-amine
CID 96661117
[4-(1H-pyrrol-3-yl)-1,3-thiazol-2-yl]methanamine
CID 82280712
[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methanamine
CID 3299475
5-[2-(aminomethyl)-1,3-thiazol-4-yl]-1,3-dimethylbenzimidazol-2-one
CID 96680068
6-[2-(aminomethyl)-1,3-thiazol-4-yl]-3-methyl-1,3-benzoxazol-2-one
CID 82090470
[4-(2,3,4,5,6-pentadeuteriophenyl)-1,3-thiazol-2-yl]methanamine;hydrochloride
CID 171380508
[3-(1-methylpyrrol-3-yl)-1H-pyrazol-5-yl]methanamine
CID 82468172
2-[4-[2-(aminomethyl)-1,3-thiazol-4-yl]phenyl]ethanol
CID 177213741
[4-(1,7-dimethylbenzimidazol-2-yl)-1,3-thiazol-2-yl]methanamine
CID 81456378
[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-yl]methanamine
CID 66379358
[4-(3-phenylmethoxyphenyl)-1,3-thiazol-2-yl]methanamine
CID 4984676
[4-(4-methyl-1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]methanamine
CID 79146804

Frequently Asked Questions

What is the IUPAC name of [4-(1-methylpyrrol-3-yl)-1,3-thiazol-2-yl]methanamine?
The IUPAC name of [4-(1-methylpyrrol-3-yl)-1,3-thiazol-2-yl]methanamine (CID 82281663) is [4-(1-methylpyrrol-3-yl)-1,3-thiazol-2-yl]methanamine.
What is the SMILES notation for [4-(1-methylpyrrol-3-yl)-1,3-thiazol-2-yl]methanamine?
The canonical SMILES for [4-(1-methylpyrrol-3-yl)-1,3-thiazol-2-yl]methanamine is Cn1ccc(-c2csc(CN)n2)c1.
What is the InChIKey of [4-(1-methylpyrrol-3-yl)-1,3-thiazol-2-yl]methanamine?
The InChIKey is YDZVSRWGPHLADA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3S/c1-12-3-2-7(5-12)8-6-13-9(4-10)11-8/h2-3,5-6H,4,10H2,1H3.
What are the key properties of [4-(1-methylpyrrol-3-yl)-1,3-thiazol-2-yl]methanamine?
[4-(1-methylpyrrol-3-yl)-1,3-thiazol-2-yl]methanamine has a molecular weight of 193.27 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-methylpyrrol-3-yl)-1,3-thiazol-2-yl]methanamine is sourced from PubChem (CID 82281663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).