N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]-1H-pyrazole-5-carboxamide

C13H19N5O2S — CID 91387527

IUPACN-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]-1H-pyrazole-5-carboxamide
SMILESO=C(NC[C@@H]1CN[C@H](C(=O)N2CCSC2)C1)c1ccn[nH]1
InChIInChI=1S/C13H19N5O2S/c19-12(10-1-2-16-17-10)15-7-9-5-11(14-6-9)13(20)18-3-4-21-8-18/h1-2,9,11,14H,3-8H2,(H,15,19)(H,16,17)/t9-,11-/m0/s1
InChIKeyOGNQKHKRGJLTIA-ONGXEEELSA-N
MW309.40 g/mol
LogP-0.35
Rot. Bonds4

About N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]-1H-pyrazole-5-carboxamide

N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]-1H-pyrazole-5-carboxamide (PubChem CID 91387527) has the molecular formula C13H19N5O2S and a molecular weight of 309.40 g/mol. Its IUPAC name is N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]-1H-pyrazole-5-carboxamide
PubChem CID91387527
Molecular FormulaC13H19N5O2S
Molecular Weight309.40 g/mol
Exact Mass309.13
IUPAC NameN-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]-1H-pyrazole-5-carboxamide
SMILESO=C(NC[C@@H]1CN[C@H](C(=O)N2CCSC2)C1)c1ccn[nH]1
InChIInChI=1S/C13H19N5O2S/c19-12(10-1-2-16-17-10)15-7-9-5-11(14-6-9)13(20)18-3-4-21-8-18/h1-2,9,11,14H,3-8H2,(H,15,19)(H,16,17)/t9-,11-/m0/s1
InChIKeyOGNQKHKRGJLTIA-ONGXEEELSA-N
XLogP-0.35
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.40
LogP ≤ 5-0.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]-1H-pyrazole-5-carboxamide (CID 91387527) is N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]-1H-pyrazole-5-carboxamide is O=C(NC[C@@H]1CN[C@H](C(=O)N2CCSC2)C1)c1ccn[nH]1.
What is the InChIKey of N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]-1H-pyrazole-5-carboxamide?
The InChIKey is OGNQKHKRGJLTIA-ONGXEEELSA-N. The full InChI is InChI=1S/C13H19N5O2S/c19-12(10-1-2-16-17-10)15-7-9-5-11(14-6-9)13(20)18-3-4-21-8-18/h1-2,9,11,14H,3-8H2,(H,15,19)(H,16,17)/t9-,11-/m0/s1.
What are the key properties of N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]-1H-pyrazole-5-carboxamide?
N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]-1H-pyrazole-5-carboxamide has a molecular weight of 309.40 g/mol, XLogP of -0.35, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 91387527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).