2-[[(2R)-2-[methyl(2,2,2-trifluoroethyl)amino]propanoyl]amino]-1,3-thiazole-4-carboxamide

C10H13F3N4O2S — CID 99801151

IUPAC2-[[(2R)-2-[methyl(2,2,2-trifluoroethyl)amino]propanoyl]amino]-1,3-thiazole-4-carboxamide
SMILESC[C@H](C(=O)Nc1nc(C(N)=O)cs1)N(C)CC(F)(F)F
InChIInChI=1S/C10H13F3N4O2S/c1-5(17(2)4-10(11,12)13)8(19)16-9-15-6(3-20-9)7(14)18/h3,5H,4H2,1-2H3,(H2,14,18)(H,15,16,19)/t5-/m1/s1
InChIKeyPHGQRSMQEVNUQV-RXMQYKEDSA-N
MW310.30 g/mol
LogP1.06
Rot. Bonds5

About 2-[[(2R)-2-[methyl(2,2,2-trifluoroethyl)amino]propanoyl]amino]-1,3-thiazole-4-carboxamide

2-[[(2R)-2-[methyl(2,2,2-trifluoroethyl)amino]propanoyl]amino]-1,3-thiazole-4-carboxamide (PubChem CID 99801151) has the molecular formula C10H13F3N4O2S and a molecular weight of 310.30 g/mol. Its IUPAC name is 2-[[(2R)-2-[methyl(2,2,2-trifluoroethyl)amino]propanoyl]amino]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[[(2R)-2-[methyl(2,2,2-trifluoroethyl)amino]propanoyl]amino]-1,3-thiazole-4-carboxamide
PubChem CID99801151
Molecular FormulaC10H13F3N4O2S
Molecular Weight310.30 g/mol
Exact Mass310.07
IUPAC Name2-[[(2R)-2-[methyl(2,2,2-trifluoroethyl)amino]propanoyl]amino]-1,3-thiazole-4-carboxamide
SMILESC[C@H](C(=O)Nc1nc(C(N)=O)cs1)N(C)CC(F)(F)F
InChIInChI=1S/C10H13F3N4O2S/c1-5(17(2)4-10(11,12)13)8(19)16-9-15-6(3-20-9)7(14)18/h3,5H,4H2,1-2H3,(H2,14,18)(H,15,16,19)/t5-/m1/s1
InChIKeyPHGQRSMQEVNUQV-RXMQYKEDSA-N
XLogP1.06
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.30
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-(4-hydroxy-3,5-dimethylphenyl)-2-[methyl(2,2,2-trifluoroethyl)amino]propanamide
CID 129433824
2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide
CID 16915429
(2S)-N-(4-acetyl-1,3-thiazol-2-yl)-2-amino-3,3-dimethylbutanamide
CID 64557720
ethyl 2-(2-chloropropanoylamino)-1,3-thiazole-4-carboxylate
CID 10515652
2-acetamido-N-(2-hydroxy-2-methylpropyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 79290954
2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazole-4-carboxamide
CID 16949036
4-[(4-acetyl-1,3-thiazol-2-yl)amino]-3-amino-4-oxobutanoic acid
CID 64896566
2-[[(1S)-2,2-dichloro-1-methylcyclopropanecarbonyl]amino]-1,3-thiazole-4-carboxamide
CID 96501826
2-[(6-methylpyridine-2-carbonyl)amino]-1,3-thiazole-4-carboxamide
CID 110472181
2-(pyridine-2-carbonylamino)-1,3-thiazole-4-carboxamide
CID 110471210
2-(pentylamino)-1,3-thiazole-4-carboxamide
CID 69456979
3-[[2-(2-methylpropanoylamino)-1,3-thiazole-4-carbonyl]amino]propanoic acid
CID 82033235

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-2-[methyl(2,2,2-trifluoroethyl)amino]propanoyl]amino]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[[(2R)-2-[methyl(2,2,2-trifluoroethyl)amino]propanoyl]amino]-1,3-thiazole-4-carboxamide (CID 99801151) is 2-[[(2R)-2-[methyl(2,2,2-trifluoroethyl)amino]propanoyl]amino]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[[(2R)-2-[methyl(2,2,2-trifluoroethyl)amino]propanoyl]amino]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[[(2R)-2-[methyl(2,2,2-trifluoroethyl)amino]propanoyl]amino]-1,3-thiazole-4-carboxamide is C[C@H](C(=O)Nc1nc(C(N)=O)cs1)N(C)CC(F)(F)F.
What is the InChIKey of 2-[[(2R)-2-[methyl(2,2,2-trifluoroethyl)amino]propanoyl]amino]-1,3-thiazole-4-carboxamide?
The InChIKey is PHGQRSMQEVNUQV-RXMQYKEDSA-N. The full InChI is InChI=1S/C10H13F3N4O2S/c1-5(17(2)4-10(11,12)13)8(19)16-9-15-6(3-20-9)7(14)18/h3,5H,4H2,1-2H3,(H2,14,18)(H,15,16,19)/t5-/m1/s1.
What are the key properties of 2-[[(2R)-2-[methyl(2,2,2-trifluoroethyl)amino]propanoyl]amino]-1,3-thiazole-4-carboxamide?
2-[[(2R)-2-[methyl(2,2,2-trifluoroethyl)amino]propanoyl]amino]-1,3-thiazole-4-carboxamide has a molecular weight of 310.30 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-2-[methyl(2,2,2-trifluoroethyl)amino]propanoyl]amino]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 99801151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).