(4R)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N,3-dimethyl-1,3-thiazolidine-4-carboxamide

C14H24N4OS — CID 56870951

IUPAC(4R)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N,3-dimethyl-1,3-thiazolidine-4-carboxamide
SMILESCN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)[C@@H]1CSCN1C
InChIInChI=1S/C14H24N4OS/c1-14(2,3)12-6-10(15-16-12)7-17(4)13(19)11-8-20-9-18(11)5/h6,11H,7-9H2,1-5H3,(H,15,16)/t11-/m0/s1
InChIKeyNSSZPTMTMJTOEU-NSHDSACASA-N
MW296.44 g/mol
LogP1.67
Rot. Bonds3

About (4R)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N,3-dimethyl-1,3-thiazolidine-4-carboxamide

(4R)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N,3-dimethyl-1,3-thiazolidine-4-carboxamide (PubChem CID 56870951) has the molecular formula C14H24N4OS and a molecular weight of 296.44 g/mol. Its IUPAC name is (4R)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N,3-dimethyl-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4R)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N,3-dimethyl-1,3-thiazolidine-4-carboxamide
PubChem CID56870951
Molecular FormulaC14H24N4OS
Molecular Weight296.44 g/mol
Exact Mass296.17
IUPAC Name(4R)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N,3-dimethyl-1,3-thiazolidine-4-carboxamide
SMILESCN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)[C@@H]1CSCN1C
InChIInChI=1S/C14H24N4OS/c1-14(2,3)12-6-10(15-16-12)7-17(4)13(19)11-8-20-9-18(11)5/h6,11H,7-9H2,1-5H3,(H,15,16)/t11-/m0/s1
InChIKeyNSSZPTMTMJTOEU-NSHDSACASA-N
XLogP1.67
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N,3-dimethyl-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4R)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N,3-dimethyl-1,3-thiazolidine-4-carboxamide (CID 56870951) is (4R)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N,3-dimethyl-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4R)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N,3-dimethyl-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4R)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N,3-dimethyl-1,3-thiazolidine-4-carboxamide is CN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)[C@@H]1CSCN1C.
What is the InChIKey of (4R)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N,3-dimethyl-1,3-thiazolidine-4-carboxamide?
The InChIKey is NSSZPTMTMJTOEU-NSHDSACASA-N. The full InChI is InChI=1S/C14H24N4OS/c1-14(2,3)12-6-10(15-16-12)7-17(4)13(19)11-8-20-9-18(11)5/h6,11H,7-9H2,1-5H3,(H,15,16)/t11-/m0/s1.
What are the key properties of (4R)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N,3-dimethyl-1,3-thiazolidine-4-carboxamide?
(4R)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N,3-dimethyl-1,3-thiazolidine-4-carboxamide has a molecular weight of 296.44 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N,3-dimethyl-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 56870951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).