N-(furan-2-ylmethyl)-2-(pyrrolidine-1-carbonyl)-1,3-thiazole-4-carboxamide

C14H15N3O3S — CID 53158390

IUPACN-(furan-2-ylmethyl)-2-(pyrrolidine-1-carbonyl)-1,3-thiazole-4-carboxamide
SMILESO=C(NCc1ccco1)c1csc(C(=O)N2CCCC2)n1
InChIInChI=1S/C14H15N3O3S/c18-12(15-8-10-4-3-7-20-10)11-9-21-13(16-11)14(19)17-5-1-2-6-17/h3-4,7,9H,1-2,5-6,8H2,(H,15,18)
InChIKeyNKUGITBAQSUFCV-UHFFFAOYSA-N
MW305.36 g/mol
LogP1.90
Rot. Bonds4

About N-(furan-2-ylmethyl)-2-(pyrrolidine-1-carbonyl)-1,3-thiazole-4-carboxamide

N-(furan-2-ylmethyl)-2-(pyrrolidine-1-carbonyl)-1,3-thiazole-4-carboxamide (PubChem CID 53158390) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-(pyrrolidine-1-carbonyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-(pyrrolidine-1-carbonyl)-1,3-thiazole-4-carboxamide
PubChem CID53158390
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC NameN-(furan-2-ylmethyl)-2-(pyrrolidine-1-carbonyl)-1,3-thiazole-4-carboxamide
SMILESO=C(NCc1ccco1)c1csc(C(=O)N2CCCC2)n1
InChIInChI=1S/C14H15N3O3S/c18-12(15-8-10-4-3-7-20-10)11-9-21-13(16-11)14(19)17-5-1-2-6-17/h3-4,7,9H,1-2,5-6,8H2,(H,15,18)
InChIKeyNKUGITBAQSUFCV-UHFFFAOYSA-N
XLogP1.90
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-chlorophenyl)methyl]-2-(pyrrolidine-1-carbonyl)-1,3-thiazole-4-carboxamide
CID 53158387
N-(furan-2-ylmethyl)-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044221
N-[(4-methoxyphenyl)methyl]-2-(pyrrolidine-1-carbonyl)-1,3-thiazole-4-carboxamide
CID 53158382
N-[(2-methoxyphenyl)methyl]-2-(pyrrolidine-1-carbonyl)-1,3-thiazole-4-carboxamide
CID 53158381
N-(2-methylpropyl)-2-(pyrrolidine-1-carbonyl)-1,3-thiazole-4-carboxamide
CID 53158373
N-(furan-2-ylmethyl)-2-(4-phenylpiperazin-1-yl)-1,3-thiazole-4-carboxamide
CID 71840415
N-(furan-2-ylmethyl)-4-(morpholine-4-carbonyl)pyridine-2-carboxamide
CID 109082801
6-(4-acetylpiperazine-1-carbonyl)-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 109097000
4-(azepan-1-yl)-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 109209338
azepan-1-yl-[2-(furan-2-ylmethylamino)pyrimidin-4-yl]methanone
CID 109303309
N-(furan-2-ylmethyl)-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide
CID 84555759
N-(furan-2-ylmethyl)-2-methyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109362707

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-(pyrrolidine-1-carbonyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-(pyrrolidine-1-carbonyl)-1,3-thiazole-4-carboxamide (CID 53158390) is N-(furan-2-ylmethyl)-2-(pyrrolidine-1-carbonyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-(pyrrolidine-1-carbonyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-(pyrrolidine-1-carbonyl)-1,3-thiazole-4-carboxamide is O=C(NCc1ccco1)c1csc(C(=O)N2CCCC2)n1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-(pyrrolidine-1-carbonyl)-1,3-thiazole-4-carboxamide?
The InChIKey is NKUGITBAQSUFCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c18-12(15-8-10-4-3-7-20-10)11-9-21-13(16-11)14(19)17-5-1-2-6-17/h3-4,7,9H,1-2,5-6,8H2,(H,15,18).
What are the key properties of N-(furan-2-ylmethyl)-2-(pyrrolidine-1-carbonyl)-1,3-thiazole-4-carboxamide?
N-(furan-2-ylmethyl)-2-(pyrrolidine-1-carbonyl)-1,3-thiazole-4-carboxamide has a molecular weight of 305.36 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-(pyrrolidine-1-carbonyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 53158390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).