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

C15H20N4O2S — CID 121145254

IUPAC2,4-dimethyl-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)Nc2cnn(CC3CCCCO3)c2)s1
InChIInChI=1S/C15H20N4O2S/c1-10-14(22-11(2)17-10)15(20)18-12-7-16-19(8-12)9-13-5-3-4-6-21-13/h7-8,13H,3-6,9H2,1-2H3,(H,18,20)
InChIKeyAYDUOONWBGUWNO-UHFFFAOYSA-N
MW320.42 g/mol
LogP2.78
Rot. Bonds4

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

2,4-dimethyl-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-1,3-thiazole-5-carboxamide (PubChem CID 121145254) has the molecular formula C15H20N4O2S and a molecular weight of 320.42 g/mol. Its IUPAC name is 2,4-dimethyl-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-1,3-thiazole-5-carboxamide
PubChem CID121145254
Molecular FormulaC15H20N4O2S
Molecular Weight320.42 g/mol
Exact Mass320.13
IUPAC Name2,4-dimethyl-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)Nc2cnn(CC3CCCCO3)c2)s1
InChIInChI=1S/C15H20N4O2S/c1-10-14(22-11(2)17-10)15(20)18-12-7-16-19(8-12)9-13-5-3-4-6-21-13/h7-8,13H,3-6,9H2,1-2H3,(H,18,20)
InChIKeyAYDUOONWBGUWNO-UHFFFAOYSA-N
XLogP2.78
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2,4-dimethyl-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-1,3-thiazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methoxy-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]acetamide
CID 121145156
2,5-dimethyl-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]furan-3-carboxamide
CID 119099745
3,5-dimethyl-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-1,2-oxazole-4-carboxamide
CID 60544723
4-chloro-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]benzamide
CID 121145185
1-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-3-propan-2-ylurea
CID 121145347
N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]pentanamide
CID 121145145
3-methyl-5-(methylamino)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-1,2-thiazole-4-carboxamide
CID 136578250
3-methoxy-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]thiophene-2-carboxamide
CID 136524086
3-(methoxymethyl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]thiophene-2-carboxamide
CID 136521322
N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]-4-(trifluoromethyl)benzamide
CID 129354391
2-cyclopentyl-N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]acetamide
CID 129355562
3,4,5-trimethoxy-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]benzamide
CID 121145179

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2,4-dimethyl-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-1,3-thiazole-5-carboxamide (CID 121145254) is 2,4-dimethyl-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2,4-dimethyl-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2,4-dimethyl-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-1,3-thiazole-5-carboxamide is Cc1nc(C)c(C(=O)Nc2cnn(CC3CCCCO3)c2)s1.
What is the InChIKey of 2,4-dimethyl-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is AYDUOONWBGUWNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2S/c1-10-14(22-11(2)17-10)15(20)18-12-7-16-19(8-12)9-13-5-3-4-6-21-13/h7-8,13H,3-6,9H2,1-2H3,(H,18,20).
What are the key properties of 2,4-dimethyl-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-1,3-thiazole-5-carboxamide?
2,4-dimethyl-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 320.42 g/mol, XLogP of 2.78, 4 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-(oxan-2-ylmethyl)pyrazol-4-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 121145254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).