(2-propyl-1,3-thiazol-4-yl)-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone

C14H17N3OS2 — CID 72940869

IUPAC(2-propyl-1,3-thiazol-4-yl)-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone
SMILESCCCc1nc(C(=O)N2CCCC2c2nccs2)cs1
InChIInChI=1S/C14H17N3OS2/c1-2-4-12-16-10(9-20-12)14(18)17-7-3-5-11(17)13-15-6-8-19-13/h6,8-9,11H,2-5,7H2,1H3
InChIKeyYJVPQHCMUALGQV-UHFFFAOYSA-N
MW307.44 g/mol
LogP3.53
Rot. Bonds4

About (2-propyl-1,3-thiazol-4-yl)-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone

(2-propyl-1,3-thiazol-4-yl)-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone (PubChem CID 72940869) has the molecular formula C14H17N3OS2 and a molecular weight of 307.44 g/mol. Its IUPAC name is (2-propyl-1,3-thiazol-4-yl)-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2-propyl-1,3-thiazol-4-yl)-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone
PubChem CID72940869
Molecular FormulaC14H17N3OS2
Molecular Weight307.44 g/mol
Exact Mass307.08
IUPAC Name(2-propyl-1,3-thiazol-4-yl)-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone
SMILESCCCc1nc(C(=O)N2CCCC2c2nccs2)cs1
InChIInChI=1S/C14H17N3OS2/c1-2-4-12-16-10(9-20-12)14(18)17-7-3-5-11(17)13-15-6-8-19-13/h6,8-9,11H,2-5,7H2,1H3
InChIKeyYJVPQHCMUALGQV-UHFFFAOYSA-N
XLogP3.53
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-benzyl-1,3-thiazol-4-yl)-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 96576018
[2-(methylamino)-1,3-thiazol-4-yl]-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 77087316
[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone
CID 72877576
methyl 4-oxo-4-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]butanoate
CID 110750323
[2-(morpholin-4-ylmethyl)piperidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone
CID 70750085
(4-methyl-2-phenylpiperazin-1-yl)-(2-propyl-1,3-thiazol-4-yl)methanone
CID 72938463
[2-(methoxymethyl)-1,3-thiazol-4-yl]-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
CID 47426042
[(2S)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone
CID 97118215
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(2-ethylpyrrolidin-1-yl)methanone;hydrochloride
CID 120624999
2-ethyl-6-[(2S)-2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]-4,5-dihydropyridazin-3-one
CID 95770116
(3-methoxypiperidin-1-yl)-(2-propyl-1,3-thiazol-4-yl)methanone
CID 72865941
cyclobutyl-[4-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]methanone
CID 97154928

Frequently Asked Questions

What is the IUPAC name of (2-propyl-1,3-thiazol-4-yl)-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of (2-propyl-1,3-thiazol-4-yl)-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone (CID 72940869) is (2-propyl-1,3-thiazol-4-yl)-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2-propyl-1,3-thiazol-4-yl)-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (2-propyl-1,3-thiazol-4-yl)-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone is CCCc1nc(C(=O)N2CCCC2c2nccs2)cs1.
What is the InChIKey of (2-propyl-1,3-thiazol-4-yl)-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone?
The InChIKey is YJVPQHCMUALGQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS2/c1-2-4-12-16-10(9-20-12)14(18)17-7-3-5-11(17)13-15-6-8-19-13/h6,8-9,11H,2-5,7H2,1H3.
What are the key properties of (2-propyl-1,3-thiazol-4-yl)-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone?
(2-propyl-1,3-thiazol-4-yl)-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone has a molecular weight of 307.44 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-propyl-1,3-thiazol-4-yl)-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 72940869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).