(4S)-3-(3,3-dimethylbutanoyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1,3-thiazolidine-4-carboxamide

C15H24N4O2S — CID 95327328

IUPAC(4S)-3-(3,3-dimethylbutanoyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1,3-thiazolidine-4-carboxamide
SMILESCc1[nH]ncc1CNC(=O)[C@H]1CSCN1C(=O)CC(C)(C)C
InChIInChI=1S/C15H24N4O2S/c1-10-11(7-17-18-10)6-16-14(21)12-8-22-9-19(12)13(20)5-15(2,3)4/h7,12H,5-6,8-9H2,1-4H3,(H,16,21)(H,17,18)/t12-/m1/s1
InChIKeyQRAJQHBZCLQGAE-GFCCVEGCSA-N
MW324.45 g/mol
LogP1.67
Rot. Bonds4

About (4S)-3-(3,3-dimethylbutanoyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1,3-thiazolidine-4-carboxamide

(4S)-3-(3,3-dimethylbutanoyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 95327328) has the molecular formula C15H24N4O2S and a molecular weight of 324.45 g/mol. Its IUPAC name is (4S)-3-(3,3-dimethylbutanoyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-3-(3,3-dimethylbutanoyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1,3-thiazolidine-4-carboxamide
PubChem CID95327328
Molecular FormulaC15H24N4O2S
Molecular Weight324.45 g/mol
Exact Mass324.16
IUPAC Name(4S)-3-(3,3-dimethylbutanoyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1,3-thiazolidine-4-carboxamide
SMILESCc1[nH]ncc1CNC(=O)[C@H]1CSCN1C(=O)CC(C)(C)C
InChIInChI=1S/C15H24N4O2S/c1-10-11(7-17-18-10)6-16-14(21)12-8-22-9-19(12)13(20)5-15(2,3)4/h7,12H,5-6,8-9H2,1-4H3,(H,16,21)(H,17,18)/t12-/m1/s1
InChIKeyQRAJQHBZCLQGAE-GFCCVEGCSA-N
XLogP1.67
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-3-(3,3-dimethylbutanoyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4S)-3-(3,3-dimethylbutanoyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1,3-thiazolidine-4-carboxamide (CID 95327328) is (4S)-3-(3,3-dimethylbutanoyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4S)-3-(3,3-dimethylbutanoyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4S)-3-(3,3-dimethylbutanoyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1,3-thiazolidine-4-carboxamide is Cc1[nH]ncc1CNC(=O)[C@H]1CSCN1C(=O)CC(C)(C)C.
What is the InChIKey of (4S)-3-(3,3-dimethylbutanoyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is QRAJQHBZCLQGAE-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H24N4O2S/c1-10-11(7-17-18-10)6-16-14(21)12-8-22-9-19(12)13(20)5-15(2,3)4/h7,12H,5-6,8-9H2,1-4H3,(H,16,21)(H,17,18)/t12-/m1/s1.
What are the key properties of (4S)-3-(3,3-dimethylbutanoyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1,3-thiazolidine-4-carboxamide?
(4S)-3-(3,3-dimethylbutanoyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 324.45 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-(3,3-dimethylbutanoyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 95327328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).