2,4-dimethyl-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-1,3-thiazole-5-carboxamide

C13H16N4O2S — CID 97428084

IUPAC2,4-dimethyl-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)Nc2cnn([C@H]3CCOC3)c2)s1
InChIInChI=1S/C13H16N4O2S/c1-8-12(20-9(2)15-8)13(18)16-10-5-14-17(6-10)11-3-4-19-7-11/h5-6,11H,3-4,7H2,1-2H3,(H,16,18)/t11-/m0/s1
InChIKeyLRMGTZPWTAMDPC-NSHDSACASA-N
MW292.36 g/mol
LogP2.17
Rot. Bonds3

About 2,4-dimethyl-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-1,3-thiazole-5-carboxamide

2,4-dimethyl-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-1,3-thiazole-5-carboxamide (PubChem CID 97428084) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is 2,4-dimethyl-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-1,3-thiazole-5-carboxamide
PubChem CID97428084
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC Name2,4-dimethyl-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)Nc2cnn([C@H]3CCOC3)c2)s1
InChIInChI=1S/C13H16N4O2S/c1-8-12(20-9(2)15-8)13(18)16-10-5-14-17(6-10)11-3-4-19-7-11/h5-6,11H,3-4,7H2,1-2H3,(H,16,18)/t11-/m0/s1
InChIKeyLRMGTZPWTAMDPC-NSHDSACASA-N
XLogP2.17
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2,4-dimethyl-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-1,3-thiazole-5-carboxamide (CID 97428084) is 2,4-dimethyl-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2,4-dimethyl-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2,4-dimethyl-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-1,3-thiazole-5-carboxamide is Cc1nc(C)c(C(=O)Nc2cnn([C@H]3CCOC3)c2)s1.
What is the InChIKey of 2,4-dimethyl-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is LRMGTZPWTAMDPC-NSHDSACASA-N. The full InChI is InChI=1S/C13H16N4O2S/c1-8-12(20-9(2)15-8)13(18)16-10-5-14-17(6-10)11-3-4-19-7-11/h5-6,11H,3-4,7H2,1-2H3,(H,16,18)/t11-/m0/s1.
What are the key properties of 2,4-dimethyl-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-1,3-thiazole-5-carboxamide?
2,4-dimethyl-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 292.36 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 97428084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).