N-[2-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2,5-dimethylpyrazole-3-carboxamide

C15H21N5O2S — CID 91945783

IUPACN-[2-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCC(=O)Nc2nc(C(C)(C)C)cs2)n(C)n1
InChIInChI=1S/C15H21N5O2S/c1-9-6-10(20(5)19-9)13(22)16-7-12(21)18-14-17-11(8-23-14)15(2,3)4/h6,8H,7H2,1-5H3,(H,16,22)(H,17,18,21)
InChIKeyYTQZFSDXNAZRMZ-UHFFFAOYSA-N
MW335.43 g/mol
LogP1.85
Rot. Bonds4

About N-[2-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2,5-dimethylpyrazole-3-carboxamide

N-[2-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2,5-dimethylpyrazole-3-carboxamide (PubChem CID 91945783) has the molecular formula C15H21N5O2S and a molecular weight of 335.43 g/mol. Its IUPAC name is N-[2-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2,5-dimethylpyrazole-3-carboxamide
PubChem CID91945783
Molecular FormulaC15H21N5O2S
Molecular Weight335.43 g/mol
Exact Mass335.14
IUPAC NameN-[2-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCC(=O)Nc2nc(C(C)(C)C)cs2)n(C)n1
InChIInChI=1S/C15H21N5O2S/c1-9-6-10(20(5)19-9)13(22)16-7-12(21)18-14-17-11(8-23-14)15(2,3)4/h6,8H,7H2,1-5H3,(H,16,22)(H,17,18,21)
InChIKeyYTQZFSDXNAZRMZ-UHFFFAOYSA-N
XLogP1.85
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2,5-dimethylpyrazole-3-carboxamide with MolForge

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Related Compounds

5-N-(4-tert-butyl-1,3-thiazol-2-yl)-3-N,3-N-diethyl-1-methylpyrazole-3,5-dicarboxamide
CID 19616004
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(prop-2-ynylamino)acetamide
CID 79287156
4-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-4-oxobutanoic acid
CID 6465782
N-(4-tert-butyl-1,3-thiazol-2-yl)-3-chloropropanamide
CID 60650220
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(pyridin-4-ylmethylamino)acetamide
CID 50965898
N-(4-tert-butyl-1,3-thiazol-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide
CID 17394808
ethyl 2-[(2,5-dimethylpyrazole-3-carbonyl)amino]-1,3-thiazole-4-carboxylate
CID 16952741
2,5-dimethyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)pyrazole-3-carboxamide
CID 16952767
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 86847878
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2,5-dimethylpyrazole-3-carboxamide
CID 16809683
6-amino-N-(4-tert-butyl-1,3-thiazol-2-yl)-4,4-dimethylhexanamide
CID 65292225
N-(4-tert-butyl-1,3-thiazol-2-yl)-2,4-dimethylbenzamide
CID 3372647

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-[2-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2,5-dimethylpyrazole-3-carboxamide (CID 91945783) is N-[2-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[2-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-[2-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2,5-dimethylpyrazole-3-carboxamide is Cc1cc(C(=O)NCC(=O)Nc2nc(C(C)(C)C)cs2)n(C)n1.
What is the InChIKey of N-[2-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2,5-dimethylpyrazole-3-carboxamide?
The InChIKey is YTQZFSDXNAZRMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2S/c1-9-6-10(20(5)19-9)13(22)16-7-12(21)18-14-17-11(8-23-14)15(2,3)4/h6,8H,7H2,1-5H3,(H,16,22)(H,17,18,21).
What are the key properties of N-[2-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2,5-dimethylpyrazole-3-carboxamide?
N-[2-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2,5-dimethylpyrazole-3-carboxamide has a molecular weight of 335.43 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 91945783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).