N,N,4-trimethyl-2-[(1-methyltriazole-4-carbonyl)amino]-1,3-thiazole-5-carboxamide

C11H14N6O2S — CID 110439852

IUPACN,N,4-trimethyl-2-[(1-methyltriazole-4-carbonyl)amino]-1,3-thiazole-5-carboxamide
SMILESCc1nc(NC(=O)c2cn(C)nn2)sc1C(=O)N(C)C
InChIInChI=1S/C11H14N6O2S/c1-6-8(10(19)16(2)3)20-11(12-6)13-9(18)7-5-17(4)15-14-7/h5H,1-4H3,(H,12,13,18)
InChIKeyDQGNOORMZCMORX-UHFFFAOYSA-N
MW294.34 g/mol
LogP0.53
Rot. Bonds3

About N,N,4-trimethyl-2-[(1-methyltriazole-4-carbonyl)amino]-1,3-thiazole-5-carboxamide

N,N,4-trimethyl-2-[(1-methyltriazole-4-carbonyl)amino]-1,3-thiazole-5-carboxamide (PubChem CID 110439852) has the molecular formula C11H14N6O2S and a molecular weight of 294.34 g/mol. Its IUPAC name is N,N,4-trimethyl-2-[(1-methyltriazole-4-carbonyl)amino]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN,N,4-trimethyl-2-[(1-methyltriazole-4-carbonyl)amino]-1,3-thiazole-5-carboxamide
PubChem CID110439852
Molecular FormulaC11H14N6O2S
Molecular Weight294.34 g/mol
Exact Mass294.09
IUPAC NameN,N,4-trimethyl-2-[(1-methyltriazole-4-carbonyl)amino]-1,3-thiazole-5-carboxamide
SMILESCc1nc(NC(=O)c2cn(C)nn2)sc1C(=O)N(C)C
InChIInChI=1S/C11H14N6O2S/c1-6-8(10(19)16(2)3)20-11(12-6)13-9(18)7-5-17(4)15-14-7/h5H,1-4H3,(H,12,13,18)
InChIKeyDQGNOORMZCMORX-UHFFFAOYSA-N
XLogP0.53
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-N,2-N-bis[5-(dimethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]benzene-1,2-dicarboxamide
CID 4065247
N,N,4-trimethyl-2-(pyrazine-2-carbonylamino)-1,3-thiazole-5-carboxamide
CID 4088894
2-[(2-fluorobenzoyl)amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 3285189
2-[(2,6-dichloropyridine-4-carbonyl)amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 142147683
2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 121114149
2-[(2,4-difluorobenzoyl)amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 39735335
2-(benzoylcarbamothioylamino)-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 843956
N,N,4-trimethyl-2-[(1-methyl-2-oxoquinoline-3-carbonyl)amino]-1,3-thiazole-5-carboxamide
CID 156585779
2-[(5-ethylthiophene-3-carbonyl)amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 17250011
N-[5-(dimethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]-2-(furan-2-carbonylamino)-1,3-oxazole-4-carboxamide
CID 90515250
2-(furan-2-carbonylcarbamothioylamino)-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 843725
1-benzyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)triazole-4-carboxamide
CID 18152907

Frequently Asked Questions

What is the IUPAC name of N,N,4-trimethyl-2-[(1-methyltriazole-4-carbonyl)amino]-1,3-thiazole-5-carboxamide?
The IUPAC name of N,N,4-trimethyl-2-[(1-methyltriazole-4-carbonyl)amino]-1,3-thiazole-5-carboxamide (CID 110439852) is N,N,4-trimethyl-2-[(1-methyltriazole-4-carbonyl)amino]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N,N,4-trimethyl-2-[(1-methyltriazole-4-carbonyl)amino]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N,N,4-trimethyl-2-[(1-methyltriazole-4-carbonyl)amino]-1,3-thiazole-5-carboxamide is Cc1nc(NC(=O)c2cn(C)nn2)sc1C(=O)N(C)C.
What is the InChIKey of N,N,4-trimethyl-2-[(1-methyltriazole-4-carbonyl)amino]-1,3-thiazole-5-carboxamide?
The InChIKey is DQGNOORMZCMORX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O2S/c1-6-8(10(19)16(2)3)20-11(12-6)13-9(18)7-5-17(4)15-14-7/h5H,1-4H3,(H,12,13,18).
What are the key properties of N,N,4-trimethyl-2-[(1-methyltriazole-4-carbonyl)amino]-1,3-thiazole-5-carboxamide?
N,N,4-trimethyl-2-[(1-methyltriazole-4-carbonyl)amino]-1,3-thiazole-5-carboxamide has a molecular weight of 294.34 g/mol, XLogP of 0.53, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4-trimethyl-2-[(1-methyltriazole-4-carbonyl)amino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 110439852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).