[4-methyl-2-(1H-pyrrol-3-yl)-1,3-thiazol-5-yl]methanamine

C9H11N3S — CID 137013301

IUPAC[4-methyl-2-(1H-pyrrol-3-yl)-1,3-thiazol-5-yl]methanamine
SMILESCc1nc(-c2cc[nH]c2)sc1CN
InChIInChI=1S/C9H11N3S/c1-6-8(4-10)13-9(12-6)7-2-3-11-5-7/h2-3,5,11H,4,10H2,1H3
InChIKeyDHHVESOYUMGNFX-UHFFFAOYSA-N
MW193.28 g/mol
LogP1.91
Rot. Bonds2

About [4-methyl-2-(1H-pyrrol-3-yl)-1,3-thiazol-5-yl]methanamine

[4-methyl-2-(1H-pyrrol-3-yl)-1,3-thiazol-5-yl]methanamine (PubChem CID 137013301) has the molecular formula C9H11N3S and a molecular weight of 193.28 g/mol. Its IUPAC name is [4-methyl-2-(1H-pyrrol-3-yl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[4-methyl-2-(1H-pyrrol-3-yl)-1,3-thiazol-5-yl]methanamine
PubChem CID137013301
Molecular FormulaC9H11N3S
Molecular Weight193.28 g/mol
Exact Mass193.07
IUPAC Name[4-methyl-2-(1H-pyrrol-3-yl)-1,3-thiazol-5-yl]methanamine
SMILESCc1nc(-c2cc[nH]c2)sc1CN
InChIInChI=1S/C9H11N3S/c1-6-8(4-10)13-9(12-6)7-2-3-11-5-7/h2-3,5,11H,4,10H2,1H3
InChIKeyDHHVESOYUMGNFX-UHFFFAOYSA-N
XLogP1.91
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.28
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-methyl-2-(1H-pyrrol-3-yl)-1,3-thiazol-5-yl]ethanamine
CID 136988525
(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanamine
CID 2795495
4,5-dimethyl-2-(1H-pyrrol-3-yl)-1,3-thiazole
CID 136988755
4-methyl-5-(piperidin-4-ylmethyl)-2-(1H-pyrrol-3-yl)-1,3-thiazole
CID 136988580
4-methyl-5-(piperidin-2-ylmethyl)-2-(1H-pyrrol-3-yl)-1,3-thiazole
CID 136988576
[4-methyl-2-(4-methylsulfanylphenyl)-1,3-thiazol-5-yl]methanamine
CID 106849619
(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)methanamine
CID 62403368
[4-methyl-2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]methanamine
CID 65197733
[2-(3-bromo-4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methanamine
CID 82800650
3-[4-methyl-2-(1H-pyrrol-3-yl)-1,3-thiazol-5-yl]oxetane-3-carbonitrile
CID 136988714
[5-methyl-4-(1H-pyrrol-3-yl)-1,3-oxazol-2-yl]methanamine
CID 82280585
[4-methyl-2-(2,3,4-trifluorophenyl)-1,3-thiazol-5-yl]methanamine
CID 107935513

Frequently Asked Questions

What is the IUPAC name of [4-methyl-2-(1H-pyrrol-3-yl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [4-methyl-2-(1H-pyrrol-3-yl)-1,3-thiazol-5-yl]methanamine (CID 137013301) is [4-methyl-2-(1H-pyrrol-3-yl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [4-methyl-2-(1H-pyrrol-3-yl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [4-methyl-2-(1H-pyrrol-3-yl)-1,3-thiazol-5-yl]methanamine is Cc1nc(-c2cc[nH]c2)sc1CN.
What is the InChIKey of [4-methyl-2-(1H-pyrrol-3-yl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is DHHVESOYUMGNFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3S/c1-6-8(4-10)13-9(12-6)7-2-3-11-5-7/h2-3,5,11H,4,10H2,1H3.
What are the key properties of [4-methyl-2-(1H-pyrrol-3-yl)-1,3-thiazol-5-yl]methanamine?
[4-methyl-2-(1H-pyrrol-3-yl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 193.28 g/mol, XLogP of 1.91, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-2-(1H-pyrrol-3-yl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 137013301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).