4-amino-N-[(2-fluorophenyl)methyl]-3-(pyrrolidine-1-carbonyl)-1,2-thiazole-5-carboxamide

C16H17FN4O2S — CID 52905826

IUPAC4-amino-N-[(2-fluorophenyl)methyl]-3-(pyrrolidine-1-carbonyl)-1,2-thiazole-5-carboxamide
SMILESNc1c(C(=O)N2CCCC2)nsc1C(=O)NCc1ccccc1F
InChIInChI=1S/C16H17FN4O2S/c17-11-6-2-1-5-10(11)9-19-15(22)14-12(18)13(20-24-14)16(23)21-7-3-4-8-21/h1-2,5-6H,3-4,7-9,18H2,(H,19,22)
InChIKeyKQEKWUOJMKCGOG-UHFFFAOYSA-N
MW348.40 g/mol
LogP2.03
Rot. Bonds4

About 4-amino-N-[(2-fluorophenyl)methyl]-3-(pyrrolidine-1-carbonyl)-1,2-thiazole-5-carboxamide

4-amino-N-[(2-fluorophenyl)methyl]-3-(pyrrolidine-1-carbonyl)-1,2-thiazole-5-carboxamide (PubChem CID 52905826) has the molecular formula C16H17FN4O2S and a molecular weight of 348.40 g/mol. Its IUPAC name is 4-amino-N-[(2-fluorophenyl)methyl]-3-(pyrrolidine-1-carbonyl)-1,2-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(2-fluorophenyl)methyl]-3-(pyrrolidine-1-carbonyl)-1,2-thiazole-5-carboxamide
PubChem CID52905826
Molecular FormulaC16H17FN4O2S
Molecular Weight348.40 g/mol
Exact Mass348.11
IUPAC Name4-amino-N-[(2-fluorophenyl)methyl]-3-(pyrrolidine-1-carbonyl)-1,2-thiazole-5-carboxamide
SMILESNc1c(C(=O)N2CCCC2)nsc1C(=O)NCc1ccccc1F
InChIInChI=1S/C16H17FN4O2S/c17-11-6-2-1-5-10(11)9-19-15(22)14-12(18)13(20-24-14)16(23)21-7-3-4-8-21/h1-2,5-6H,3-4,7-9,18H2,(H,19,22)
InChIKeyKQEKWUOJMKCGOG-UHFFFAOYSA-N
XLogP2.03
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-[(2-methoxyphenyl)methyl]-3-(pyrrolidine-1-carbonyl)-1,2-thiazole-5-carboxamide
CID 52905820
4-amino-3-N-[(2-chlorophenyl)methyl]-5-N-[(2-fluorophenyl)methyl]-1,2-thiazole-3,5-dicarboxamide
CID 53331410
4-amino-3-N-(cyclopropylmethyl)-5-N-[(2-fluorophenyl)methyl]-1,2-thiazole-3,5-dicarboxamide
CID 53335804
N-[(2-fluorophenyl)methyl]-6-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
CID 109094778
4-amino-N-[(2-fluorophenyl)methyl]-3-pyridin-2-yl-1,2-thiazole-5-carboxamide
CID 53141228
N-[(2-fluorophenyl)methyl]-5-[2-(pyrrolidine-1-carbonyl)phenyl]-1,3-oxazole-4-carboxamide
CID 53122805
N-[(2-fluorophenyl)methyl]-5-(piperidine-1-carbonyl)pyridine-3-carboxamide
CID 109102853
N-[(2-fluorophenyl)methyl]piperidine-1-carboxamide
CID 108897499
N-[(2-fluorophenyl)methyl]-3-(piperidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
CID 109074623
4-amino-N-[(2-fluorophenyl)methyl]-3-(3-methoxyphenyl)-1,2-thiazole-5-carboxamide
CID 53335741
N-[(2-fluorophenyl)methyl]-2-oxo-2-piperidin-1-ylacetamide
CID 108517300
4-amino-3-N-[(2-chlorophenyl)methyl]-5-N-cycloheptyl-1,2-thiazole-3,5-dicarboxamide
CID 53331408

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(2-fluorophenyl)methyl]-3-(pyrrolidine-1-carbonyl)-1,2-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-[(2-fluorophenyl)methyl]-3-(pyrrolidine-1-carbonyl)-1,2-thiazole-5-carboxamide (CID 52905826) is 4-amino-N-[(2-fluorophenyl)methyl]-3-(pyrrolidine-1-carbonyl)-1,2-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-[(2-fluorophenyl)methyl]-3-(pyrrolidine-1-carbonyl)-1,2-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-[(2-fluorophenyl)methyl]-3-(pyrrolidine-1-carbonyl)-1,2-thiazole-5-carboxamide is Nc1c(C(=O)N2CCCC2)nsc1C(=O)NCc1ccccc1F.
What is the InChIKey of 4-amino-N-[(2-fluorophenyl)methyl]-3-(pyrrolidine-1-carbonyl)-1,2-thiazole-5-carboxamide?
The InChIKey is KQEKWUOJMKCGOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4O2S/c17-11-6-2-1-5-10(11)9-19-15(22)14-12(18)13(20-24-14)16(23)21-7-3-4-8-21/h1-2,5-6H,3-4,7-9,18H2,(H,19,22).
What are the key properties of 4-amino-N-[(2-fluorophenyl)methyl]-3-(pyrrolidine-1-carbonyl)-1,2-thiazole-5-carboxamide?
4-amino-N-[(2-fluorophenyl)methyl]-3-(pyrrolidine-1-carbonyl)-1,2-thiazole-5-carboxamide has a molecular weight of 348.40 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(2-fluorophenyl)methyl]-3-(pyrrolidine-1-carbonyl)-1,2-thiazole-5-carboxamide is sourced from PubChem (CID 52905826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).