N-(2,4-dimethyl-1,3-thiazol-5-yl)-4-methyl-1-(oxan-4-yl)pyrazole-3-carboxamide

C15H20N4O2S — CID 139021597

IUPACN-(2,4-dimethyl-1,3-thiazol-5-yl)-4-methyl-1-(oxan-4-yl)pyrazole-3-carboxamide
SMILESCc1nc(C)c(NC(=O)c2nn(C3CCOCC3)cc2C)s1
InChIInChI=1S/C15H20N4O2S/c1-9-8-19(12-4-6-21-7-5-12)18-13(9)14(20)17-15-10(2)16-11(3)22-15/h8,12H,4-7H2,1-3H3,(H,17,20)
InChIKeyNATIWCUVAYPBBN-UHFFFAOYSA-N
MW320.42 g/mol
LogP2.87
Rot. Bonds3

About N-(2,4-dimethyl-1,3-thiazol-5-yl)-4-methyl-1-(oxan-4-yl)pyrazole-3-carboxamide

N-(2,4-dimethyl-1,3-thiazol-5-yl)-4-methyl-1-(oxan-4-yl)pyrazole-3-carboxamide (PubChem CID 139021597) has the molecular formula C15H20N4O2S and a molecular weight of 320.42 g/mol. Its IUPAC name is N-(2,4-dimethyl-1,3-thiazol-5-yl)-4-methyl-1-(oxan-4-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethyl-1,3-thiazol-5-yl)-4-methyl-1-(oxan-4-yl)pyrazole-3-carboxamide
PubChem CID139021597
Molecular FormulaC15H20N4O2S
Molecular Weight320.42 g/mol
Exact Mass320.13
IUPAC NameN-(2,4-dimethyl-1,3-thiazol-5-yl)-4-methyl-1-(oxan-4-yl)pyrazole-3-carboxamide
SMILESCc1nc(C)c(NC(=O)c2nn(C3CCOCC3)cc2C)s1
InChIInChI=1S/C15H20N4O2S/c1-9-8-19(12-4-6-21-7-5-12)18-13(9)14(20)17-15-10(2)16-11(3)22-15/h8,12H,4-7H2,1-3H3,(H,17,20)
InChIKeyNATIWCUVAYPBBN-UHFFFAOYSA-N
XLogP2.87
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[4-methyl-1-(oxan-4-yl)pyrazole-3-carbonyl]amino]bicyclo[3.1.0]hexane-1-carboxylic acid
CID 166296061
(7-methyl-1,7-diazaspiro[3.5]nonan-1-yl)-[4-methyl-1-(oxan-4-yl)pyrazol-3-yl]methanone
CID 136559170
3-iodo-4-methyl-1-(oxan-4-yl)pyrazole
CID 79787692
2,4-dimethyl-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-1,3-thiazole-5-carboxamide
CID 97428084
4-nitro-1-(oxan-4-yl)pyrazole-3-carboxylic acid
CID 90424390
(2S,5R)-5-(aminomethyl)-N-(2,4-dimethyl-1,3-thiazol-5-yl)oxolane-2-carboxamide
CID 120795566
(2S)-N-(2,4-dimethyl-1,3-thiazol-5-yl)-2-hydroxypropanamide
CID 127009505
N-(2,4-dimethyl-1,3-thiazol-5-yl)-1H-indazole-3-carboxamide
CID 166229758
methyl 4-[(3-bromobenzoyl)amino]-1-(oxan-4-yl)pyrazole-3-carboxylate
CID 122445380
methyl 2-(oxan-4-yl)indazole-6-carboxylate
CID 137377490
N-(2,4-dimethyl-1,3-thiazol-5-yl)-2-(ethylamino)acetamide
CID 130685171
5-bromo-6-methyl-2-(oxan-4-yl)indazole
CID 178165259

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethyl-1,3-thiazol-5-yl)-4-methyl-1-(oxan-4-yl)pyrazole-3-carboxamide?
The IUPAC name of N-(2,4-dimethyl-1,3-thiazol-5-yl)-4-methyl-1-(oxan-4-yl)pyrazole-3-carboxamide (CID 139021597) is N-(2,4-dimethyl-1,3-thiazol-5-yl)-4-methyl-1-(oxan-4-yl)pyrazole-3-carboxamide.
What is the SMILES notation for N-(2,4-dimethyl-1,3-thiazol-5-yl)-4-methyl-1-(oxan-4-yl)pyrazole-3-carboxamide?
The canonical SMILES for N-(2,4-dimethyl-1,3-thiazol-5-yl)-4-methyl-1-(oxan-4-yl)pyrazole-3-carboxamide is Cc1nc(C)c(NC(=O)c2nn(C3CCOCC3)cc2C)s1.
What is the InChIKey of N-(2,4-dimethyl-1,3-thiazol-5-yl)-4-methyl-1-(oxan-4-yl)pyrazole-3-carboxamide?
The InChIKey is NATIWCUVAYPBBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2S/c1-9-8-19(12-4-6-21-7-5-12)18-13(9)14(20)17-15-10(2)16-11(3)22-15/h8,12H,4-7H2,1-3H3,(H,17,20).
What are the key properties of N-(2,4-dimethyl-1,3-thiazol-5-yl)-4-methyl-1-(oxan-4-yl)pyrazole-3-carboxamide?
N-(2,4-dimethyl-1,3-thiazol-5-yl)-4-methyl-1-(oxan-4-yl)pyrazole-3-carboxamide has a molecular weight of 320.42 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethyl-1,3-thiazol-5-yl)-4-methyl-1-(oxan-4-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 139021597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).