(4S)-N-(3-fluoro-4-pyrazol-1-ylphenyl)-3-propanoyl-1,3-thiazolidine-4-carboxamide

C16H17FN4O2S — CID 95326882

IUPAC(4S)-N-(3-fluoro-4-pyrazol-1-ylphenyl)-3-propanoyl-1,3-thiazolidine-4-carboxamide
SMILESCCC(=O)N1CSC[C@@H]1C(=O)Nc1ccc(-n2cccn2)c(F)c1
InChIInChI=1S/C16H17FN4O2S/c1-2-15(22)20-10-24-9-14(20)16(23)19-11-4-5-13(12(17)8-11)21-7-3-6-18-21/h3-8,14H,2,9-10H2,1H3,(H,19,23)/t14-/m1/s1
InChIKeyDSTFGDXXWANXSA-CQSZACIVSA-N
MW348.40 g/mol
LogP2.26
Rot. Bonds4

About (4S)-N-(3-fluoro-4-pyrazol-1-ylphenyl)-3-propanoyl-1,3-thiazolidine-4-carboxamide

(4S)-N-(3-fluoro-4-pyrazol-1-ylphenyl)-3-propanoyl-1,3-thiazolidine-4-carboxamide (PubChem CID 95326882) has the molecular formula C16H17FN4O2S and a molecular weight of 348.40 g/mol. Its IUPAC name is (4S)-N-(3-fluoro-4-pyrazol-1-ylphenyl)-3-propanoyl-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-(3-fluoro-4-pyrazol-1-ylphenyl)-3-propanoyl-1,3-thiazolidine-4-carboxamide
PubChem CID95326882
Molecular FormulaC16H17FN4O2S
Molecular Weight348.40 g/mol
Exact Mass348.11
IUPAC Name(4S)-N-(3-fluoro-4-pyrazol-1-ylphenyl)-3-propanoyl-1,3-thiazolidine-4-carboxamide
SMILESCCC(=O)N1CSC[C@@H]1C(=O)Nc1ccc(-n2cccn2)c(F)c1
InChIInChI=1S/C16H17FN4O2S/c1-2-15(22)20-10-24-9-14(20)16(23)19-11-4-5-13(12(17)8-11)21-7-3-6-18-21/h3-8,14H,2,9-10H2,1H3,(H,19,23)/t14-/m1/s1
InChIKeyDSTFGDXXWANXSA-CQSZACIVSA-N
XLogP2.26
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(cyclopropanecarbonyl)-N-(3-fluoro-4-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide
CID 126769711
(4S)-3-(3-fluoro-4-pyrazol-1-ylbenzoyl)-N-(3-methylbutyl)-1,3-thiazolidine-4-carboxamide
CID 97315655
(4R)-N-(5-acetamido-2-methylphenyl)-3-propanoyl-1,3-thiazolidine-4-carboxamide
CID 95568340
3-amino-N-(3-fluoro-4-pyrazol-1-ylphenyl)cyclopentane-1-carboxamide
CID 119859342
N-(4-chloro-2-pyrrol-1-ylphenyl)-3-propanoyl-1,3-thiazolidine-4-carboxamide
CID 86904057
3-[(3-butanoyl-1,3-thiazolidine-4-carbonyl)amino]benzoic acid
CID 119219604
3-[[4-[(3-propanoyl-1,3-thiazolidine-4-carbonyl)amino]benzoyl]amino]propanoic acid
CID 119222924
5-[(3-butanoyl-1,3-thiazolidine-4-carbonyl)amino]-2-methylbenzoic acid
CID 119255305
1-amino-N-(3-fluoro-4-pyrazol-1-ylphenyl)cyclohexane-1-carboxamide
CID 119859368
4-[(3-fluoro-4-pyrazol-1-ylphenyl)carbamoylamino]-4-methylpentanoic acid
CID 122078045
(3R,4S)-N-(3-fluoro-4-pyrazol-1-ylphenyl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;dihydrochloride
CID 120939748
(4R)-N-(4-fluorophenyl)-3-[2-(2-methoxyethoxy)acetyl]-1,3-thiazolidine-4-carboxamide
CID 95233038

Frequently Asked Questions

What is the IUPAC name of (4S)-N-(3-fluoro-4-pyrazol-1-ylphenyl)-3-propanoyl-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4S)-N-(3-fluoro-4-pyrazol-1-ylphenyl)-3-propanoyl-1,3-thiazolidine-4-carboxamide (CID 95326882) is (4S)-N-(3-fluoro-4-pyrazol-1-ylphenyl)-3-propanoyl-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4S)-N-(3-fluoro-4-pyrazol-1-ylphenyl)-3-propanoyl-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4S)-N-(3-fluoro-4-pyrazol-1-ylphenyl)-3-propanoyl-1,3-thiazolidine-4-carboxamide is CCC(=O)N1CSC[C@@H]1C(=O)Nc1ccc(-n2cccn2)c(F)c1.
What is the InChIKey of (4S)-N-(3-fluoro-4-pyrazol-1-ylphenyl)-3-propanoyl-1,3-thiazolidine-4-carboxamide?
The InChIKey is DSTFGDXXWANXSA-CQSZACIVSA-N. The full InChI is InChI=1S/C16H17FN4O2S/c1-2-15(22)20-10-24-9-14(20)16(23)19-11-4-5-13(12(17)8-11)21-7-3-6-18-21/h3-8,14H,2,9-10H2,1H3,(H,19,23)/t14-/m1/s1.
What are the key properties of (4S)-N-(3-fluoro-4-pyrazol-1-ylphenyl)-3-propanoyl-1,3-thiazolidine-4-carboxamide?
(4S)-N-(3-fluoro-4-pyrazol-1-ylphenyl)-3-propanoyl-1,3-thiazolidine-4-carboxamide has a molecular weight of 348.40 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-(3-fluoro-4-pyrazol-1-ylphenyl)-3-propanoyl-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 95326882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).