4-propyl-2-(1H-pyrrol-2-yl)-1,3-thiazole

C10H12N2S — CID 137001721

IUPAC4-propyl-2-(1H-pyrrol-2-yl)-1,3-thiazole
SMILESCCCc1csc(-c2ccc[nH]2)n1
InChIInChI=1S/C10H12N2S/c1-2-4-8-7-13-10(12-8)9-5-3-6-11-9/h3,5-7,11H,2,4H2,1H3
InChIKeyCIDMESMPVAKLFA-UHFFFAOYSA-N
MW192.29 g/mol
LogP3.09
Rot. Bonds3

About 4-propyl-2-(1H-pyrrol-2-yl)-1,3-thiazole

4-propyl-2-(1H-pyrrol-2-yl)-1,3-thiazole (PubChem CID 137001721) has the molecular formula C10H12N2S and a molecular weight of 192.29 g/mol. Its IUPAC name is 4-propyl-2-(1H-pyrrol-2-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-propyl-2-(1H-pyrrol-2-yl)-1,3-thiazole
PubChem CID137001721
Molecular FormulaC10H12N2S
Molecular Weight192.29 g/mol
Exact Mass192.07
IUPAC Name4-propyl-2-(1H-pyrrol-2-yl)-1,3-thiazole
SMILESCCCc1csc(-c2ccc[nH]2)n1
InChIInChI=1S/C10H12N2S/c1-2-4-8-7-13-10(12-8)9-5-3-6-11-9/h3,5-7,11H,2,4H2,1H3
InChIKeyCIDMESMPVAKLFA-UHFFFAOYSA-N
XLogP3.09
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.29
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-[2-(1H-pyrrol-2-yl)-1,3-thiazol-4-yl]methanamine
CID 137013305
2-(4-fluorophenyl)-4-propyl-1,3-thiazole
CID 115641443
2-(4-methylphenyl)-4-propyl-1,3-thiazole
CID 115641441
1-[2-(1H-pyrrol-2-yl)-1,3-thiazol-4-yl]ethanone
CID 136984683
N-methyl-1-[1-[2-(1H-pyrrol-2-yl)-1,3-thiazol-4-yl]cyclobutyl]methanamine
CID 136988965
3-methyl-3-[2-(1H-pyrrol-2-yl)-1,3-thiazol-4-yl]butan-1-amine
CID 136988794
methyl 2-(1H-pyrrol-2-yl)-1,3-thiazole-4-carboxylate
CID 136984627
2-(2,3-dimethoxyphenyl)-4-propyl-1,3-thiazole
CID 145341916
[3-(4-propyl-1,3-thiazol-2-yl)phenyl]methanamine;hydrochloride
CID 120558535
N-ethyl-2-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]ethanamine
CID 116968355
4-dodecyl-2-(4-dodecyl-1,3-thiazol-2-yl)-1,3-thiazole
CID 141353675
2-(3,4-dimethoxyphenyl)-4-propyl-1,3-thiazole
CID 112692422

Frequently Asked Questions

What is the IUPAC name of 4-propyl-2-(1H-pyrrol-2-yl)-1,3-thiazole?
The IUPAC name of 4-propyl-2-(1H-pyrrol-2-yl)-1,3-thiazole (CID 137001721) is 4-propyl-2-(1H-pyrrol-2-yl)-1,3-thiazole.
What is the SMILES notation for 4-propyl-2-(1H-pyrrol-2-yl)-1,3-thiazole?
The canonical SMILES for 4-propyl-2-(1H-pyrrol-2-yl)-1,3-thiazole is CCCc1csc(-c2ccc[nH]2)n1.
What is the InChIKey of 4-propyl-2-(1H-pyrrol-2-yl)-1,3-thiazole?
The InChIKey is CIDMESMPVAKLFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2S/c1-2-4-8-7-13-10(12-8)9-5-3-6-11-9/h3,5-7,11H,2,4H2,1H3.
What are the key properties of 4-propyl-2-(1H-pyrrol-2-yl)-1,3-thiazole?
4-propyl-2-(1H-pyrrol-2-yl)-1,3-thiazole has a molecular weight of 192.29 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-2-(1H-pyrrol-2-yl)-1,3-thiazole is sourced from PubChem (CID 137001721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).