3-methyl-5-(methylamino)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-1,2-thiazole-4-carboxamide

C14H19N5O2S — CID 136578250

IUPAC3-methyl-5-(methylamino)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-1,2-thiazole-4-carboxamide
SMILESCNc1snc(C)c1C(=O)Nc1cnn(CC2CCCO2)c1
InChIInChI=1S/C14H19N5O2S/c1-9-12(14(15-2)22-18-9)13(20)17-10-6-16-19(7-10)8-11-4-3-5-21-11/h6-7,11,15H,3-5,8H2,1-2H3,(H,17,20)
InChIKeyMVZQGSUARYQMNB-UHFFFAOYSA-N
MW321.41 g/mol
LogP2.12
Rot. Bonds5

About 3-methyl-5-(methylamino)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-1,2-thiazole-4-carboxamide

3-methyl-5-(methylamino)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-1,2-thiazole-4-carboxamide (PubChem CID 136578250) has the molecular formula C14H19N5O2S and a molecular weight of 321.41 g/mol. Its IUPAC name is 3-methyl-5-(methylamino)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-methyl-5-(methylamino)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-1,2-thiazole-4-carboxamide
PubChem CID136578250
Molecular FormulaC14H19N5O2S
Molecular Weight321.41 g/mol
Exact Mass321.13
IUPAC Name3-methyl-5-(methylamino)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-1,2-thiazole-4-carboxamide
SMILESCNc1snc(C)c1C(=O)Nc1cnn(CC2CCCO2)c1
InChIInChI=1S/C14H19N5O2S/c1-9-12(14(15-2)22-18-9)13(20)17-10-6-16-19(7-10)8-11-4-3-5-21-11/h6-7,11,15H,3-5,8H2,1-2H3,(H,17,20)
InChIKeyMVZQGSUARYQMNB-UHFFFAOYSA-N
XLogP2.12
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3,5-dimethyl-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-1,2-oxazole-4-carboxamide
CID 60544723
2,4-dimethyl-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-1,3-thiazole-5-carboxamide
CID 121145254
N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]thiophene-2-carboxamide
CID 60782178
2-bromo-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]propanamide
CID 107903884
4-(methylamino)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]butanamide
CID 60842431
5-chloro-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]thiophene-2-carboxamide
CID 47327915
2-(cyclopropylmethylamino)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide
CID 60867277
N-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]prop-2-enamide
CID 129365474
2,5-dimethyl-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]furan-3-carboxamide
CID 119099745
N-[(2-methylphenyl)methyl]-N'-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]oxamide
CID 96539643
1-(dicyclopropylmethyl)-3-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]urea
CID 96561422
3-methoxy-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]thiophene-2-carboxamide
CID 136524086

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(methylamino)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-methyl-5-(methylamino)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-1,2-thiazole-4-carboxamide (CID 136578250) is 3-methyl-5-(methylamino)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-methyl-5-(methylamino)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-methyl-5-(methylamino)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-1,2-thiazole-4-carboxamide is CNc1snc(C)c1C(=O)Nc1cnn(CC2CCCO2)c1.
What is the InChIKey of 3-methyl-5-(methylamino)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-1,2-thiazole-4-carboxamide?
The InChIKey is MVZQGSUARYQMNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2S/c1-9-12(14(15-2)22-18-9)13(20)17-10-6-16-19(7-10)8-11-4-3-5-21-11/h6-7,11,15H,3-5,8H2,1-2H3,(H,17,20).
What are the key properties of 3-methyl-5-(methylamino)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-1,2-thiazole-4-carboxamide?
3-methyl-5-(methylamino)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-1,2-thiazole-4-carboxamide has a molecular weight of 321.41 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(methylamino)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 136578250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).