N-methyl-2-(1H-pyrrol-3-yl)-1,3-thiazol-4-amine

C8H9N3S — CID 137013296

IUPACN-methyl-2-(1H-pyrrol-3-yl)-1,3-thiazol-4-amine
SMILESCNc1csc(-c2cc[nH]c2)n1
InChIInChI=1S/C8H9N3S/c1-9-7-5-12-8(11-7)6-2-3-10-4-6/h2-5,9-10H,1H3
InChIKeyMVLUDFZZINKSRY-UHFFFAOYSA-N
MW179.25 g/mol
LogP2.18
Rot. Bonds2

About N-methyl-2-(1H-pyrrol-3-yl)-1,3-thiazol-4-amine

N-methyl-2-(1H-pyrrol-3-yl)-1,3-thiazol-4-amine (PubChem CID 137013296) has the molecular formula C8H9N3S and a molecular weight of 179.25 g/mol. Its IUPAC name is N-methyl-2-(1H-pyrrol-3-yl)-1,3-thiazol-4-amine.

Molecular Properties

Compound NameN-methyl-2-(1H-pyrrol-3-yl)-1,3-thiazol-4-amine
PubChem CID137013296
Molecular FormulaC8H9N3S
Molecular Weight179.25 g/mol
Exact Mass179.05
IUPAC NameN-methyl-2-(1H-pyrrol-3-yl)-1,3-thiazol-4-amine
SMILESCNc1csc(-c2cc[nH]c2)n1
InChIInChI=1S/C8H9N3S/c1-9-7-5-12-8(11-7)6-2-3-10-4-6/h2-5,9-10H,1H3
InChIKeyMVLUDFZZINKSRY-UHFFFAOYSA-N
XLogP2.18
TPSA40.71 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 ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(1H-pyrrol-3-yl)-1,3-thiazol-4-amine?
The IUPAC name of N-methyl-2-(1H-pyrrol-3-yl)-1,3-thiazol-4-amine (CID 137013296) is N-methyl-2-(1H-pyrrol-3-yl)-1,3-thiazol-4-amine.
What is the SMILES notation for N-methyl-2-(1H-pyrrol-3-yl)-1,3-thiazol-4-amine?
The canonical SMILES for N-methyl-2-(1H-pyrrol-3-yl)-1,3-thiazol-4-amine is CNc1csc(-c2cc[nH]c2)n1.
What is the InChIKey of N-methyl-2-(1H-pyrrol-3-yl)-1,3-thiazol-4-amine?
The InChIKey is MVLUDFZZINKSRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3S/c1-9-7-5-12-8(11-7)6-2-3-10-4-6/h2-5,9-10H,1H3.
What are the key properties of N-methyl-2-(1H-pyrrol-3-yl)-1,3-thiazol-4-amine?
N-methyl-2-(1H-pyrrol-3-yl)-1,3-thiazol-4-amine has a molecular weight of 179.25 g/mol, XLogP of 2.18, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(1H-pyrrol-3-yl)-1,3-thiazol-4-amine is sourced from PubChem (CID 137013296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).