2-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-4-methyl-1,3-thiazole-5-carboxamide

C12H17N5OS — CID 104618526

IUPAC2-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(N)sc1C(=O)Nc1cc(C(C)(C)C)[nH]n1
InChIInChI=1S/C12H17N5OS/c1-6-9(19-11(13)14-6)10(18)15-8-5-7(16-17-8)12(2,3)4/h5H,1-4H3,(H2,13,14)(H2,15,16,17,18)
InChIKeyMVHBONAHUBYULJ-UHFFFAOYSA-N
MW279.37 g/mol
LogP2.31
Rot. Bonds2

About 2-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-4-methyl-1,3-thiazole-5-carboxamide

2-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 104618526) has the molecular formula C12H17N5OS and a molecular weight of 279.37 g/mol. Its IUPAC name is 2-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID104618526
Molecular FormulaC12H17N5OS
Molecular Weight279.37 g/mol
Exact Mass279.12
IUPAC Name2-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(N)sc1C(=O)Nc1cc(C(C)(C)C)[nH]n1
InChIInChI=1S/C12H17N5OS/c1-6-9(19-11(13)14-6)10(18)15-8-5-7(16-17-8)12(2,3)4/h5H,1-4H3,(H2,13,14)(H2,15,16,17,18)
InChIKeyMVHBONAHUBYULJ-UHFFFAOYSA-N
XLogP2.31
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-4-methyl-N-(5-methyl-1H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide
CID 63822437
2-amino-N-(4-tert-butylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 62794412
2-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-ethylbutanamide
CID 104618583
3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-3-methylbutanamide
CID 113433629
2-amino-N-(2-tert-butylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 62792550
N-(5-ethyl-1H-pyrazol-3-yl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 112687120
N-(5-tert-butyl-1H-pyrazol-3-yl)-4-chloro-3-methylbenzamide
CID 115694776
1-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)cyclopropane-1-carboxamide
CID 115976312
2-amino-N-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 62793569
2-amino-4-methyl-N-(1-methylpyrazol-3-yl)-1,3-thiazole-5-carboxamide
CID 62794451
2-(aminomethyl)-N-(5-tert-butyl-1H-pyrazol-3-yl)pyridine-4-carboxamide
CID 104618611
4-amino-3-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)benzamide
CID 104618642

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-4-methyl-1,3-thiazole-5-carboxamide (CID 104618526) is 2-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-4-methyl-1,3-thiazole-5-carboxamide is Cc1nc(N)sc1C(=O)Nc1cc(C(C)(C)C)[nH]n1.
What is the InChIKey of 2-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is MVHBONAHUBYULJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5OS/c1-6-9(19-11(13)14-6)10(18)15-8-5-7(16-17-8)12(2,3)4/h5H,1-4H3,(H2,13,14)(H2,15,16,17,18).
What are the key properties of 2-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-4-methyl-1,3-thiazole-5-carboxamide?
2-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 279.37 g/mol, XLogP of 2.31, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 104618526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).