(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl 2-pyrrolidin-1-ylpyridine-3-carboxylate

C18H17N3O2S2 — CID 18169739

IUPAC(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl 2-pyrrolidin-1-ylpyridine-3-carboxylate
SMILESO=C(OCc1csc(-c2cccs2)n1)c1cccnc1N1CCCC1
InChIInChI=1S/C18H17N3O2S2/c22-18(14-5-3-7-19-16(14)21-8-1-2-9-21)23-11-13-12-25-17(20-13)15-6-4-10-24-15/h3-7,10,12H,1-2,8-9,11H2
InChIKeyHNQUXAKBNXAQQV-UHFFFAOYSA-N
MW371.49 g/mol
LogP4.22
Rot. Bonds5

About (2-thiophen-2-yl-1,3-thiazol-4-yl)methyl 2-pyrrolidin-1-ylpyridine-3-carboxylate

(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl 2-pyrrolidin-1-ylpyridine-3-carboxylate (PubChem CID 18169739) has the molecular formula C18H17N3O2S2 and a molecular weight of 371.49 g/mol. Its IUPAC name is (2-thiophen-2-yl-1,3-thiazol-4-yl)methyl 2-pyrrolidin-1-ylpyridine-3-carboxylate.

Molecular Properties

Compound Name(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl 2-pyrrolidin-1-ylpyridine-3-carboxylate
PubChem CID18169739
Molecular FormulaC18H17N3O2S2
Molecular Weight371.49 g/mol
Exact Mass371.08
IUPAC Name(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl 2-pyrrolidin-1-ylpyridine-3-carboxylate
SMILESO=C(OCc1csc(-c2cccs2)n1)c1cccnc1N1CCCC1
InChIInChI=1S/C18H17N3O2S2/c22-18(14-5-3-7-19-16(14)21-8-1-2-9-21)23-11-13-12-25-17(20-13)15-6-4-10-24-15/h3-7,10,12H,1-2,8-9,11H2
InChIKeyHNQUXAKBNXAQQV-UHFFFAOYSA-N
XLogP4.22
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

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2-ethoxyethyl 2-pyrrolidin-1-ylpyridine-3-carboxylate
CID 55569349
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[2-oxo-2-(propan-2-ylamino)ethyl] 2-pyrrolidin-1-ylpyridine-3-carboxylate
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3-cyanopropyl 2-pyrrolidin-1-ylpyridine-3-carboxylate
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Frequently Asked Questions

What is the IUPAC name of (2-thiophen-2-yl-1,3-thiazol-4-yl)methyl 2-pyrrolidin-1-ylpyridine-3-carboxylate?
The IUPAC name of (2-thiophen-2-yl-1,3-thiazol-4-yl)methyl 2-pyrrolidin-1-ylpyridine-3-carboxylate (CID 18169739) is (2-thiophen-2-yl-1,3-thiazol-4-yl)methyl 2-pyrrolidin-1-ylpyridine-3-carboxylate.
What is the SMILES notation for (2-thiophen-2-yl-1,3-thiazol-4-yl)methyl 2-pyrrolidin-1-ylpyridine-3-carboxylate?
The canonical SMILES for (2-thiophen-2-yl-1,3-thiazol-4-yl)methyl 2-pyrrolidin-1-ylpyridine-3-carboxylate is O=C(OCc1csc(-c2cccs2)n1)c1cccnc1N1CCCC1.
What is the InChIKey of (2-thiophen-2-yl-1,3-thiazol-4-yl)methyl 2-pyrrolidin-1-ylpyridine-3-carboxylate?
The InChIKey is HNQUXAKBNXAQQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S2/c22-18(14-5-3-7-19-16(14)21-8-1-2-9-21)23-11-13-12-25-17(20-13)15-6-4-10-24-15/h3-7,10,12H,1-2,8-9,11H2.
What are the key properties of (2-thiophen-2-yl-1,3-thiazol-4-yl)methyl 2-pyrrolidin-1-ylpyridine-3-carboxylate?
(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl 2-pyrrolidin-1-ylpyridine-3-carboxylate has a molecular weight of 371.49 g/mol, XLogP of 4.22, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-thiophen-2-yl-1,3-thiazol-4-yl)methyl 2-pyrrolidin-1-ylpyridine-3-carboxylate is sourced from PubChem (CID 18169739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).