2-methyl-2-[4-methyl-5-[[4-methyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]propanamide

C14H16F3N5OS — CID 160840380

IUPAC2-methyl-2-[4-methyl-5-[[4-methyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]propanamide
SMILESCc1nc(Nc2sc(C(C)(C)C(N)=O)nc2C)ncc1C(F)(F)F
InChIInChI=1S/C14H16F3N5OS/c1-6-8(14(15,16)17)5-19-12(21-6)22-9-7(2)20-11(24-9)13(3,4)10(18)23/h5H,1-4H3,(H2,18,23)(H,19,21,22)
InChIKeyBYOQPDISCZWTBI-UHFFFAOYSA-N
MW359.38 g/mol
LogP3.08
Rot. Bonds4

About 2-methyl-2-[4-methyl-5-[[4-methyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]propanamide

2-methyl-2-[4-methyl-5-[[4-methyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]propanamide (PubChem CID 160840380) has the molecular formula C14H16F3N5OS and a molecular weight of 359.38 g/mol. Its IUPAC name is 2-methyl-2-[4-methyl-5-[[4-methyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name2-methyl-2-[4-methyl-5-[[4-methyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]propanamide
PubChem CID160840380
Molecular FormulaC14H16F3N5OS
Molecular Weight359.38 g/mol
Exact Mass359.10
IUPAC Name2-methyl-2-[4-methyl-5-[[4-methyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]propanamide
SMILESCc1nc(Nc2sc(C(C)(C)C(N)=O)nc2C)ncc1C(F)(F)F
InChIInChI=1S/C14H16F3N5OS/c1-6-8(14(15,16)17)5-19-12(21-6)22-9-7(2)20-11(24-9)13(3,4)10(18)23/h5H,1-4H3,(H2,18,23)(H,19,21,22)
InChIKeyBYOQPDISCZWTBI-UHFFFAOYSA-N
XLogP3.08
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-Methyl-2-[4-methyl-5-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]propanamide
CID 130419525
2-[5-[[4-(Ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-4-methyl-1,3-thiazol-2-yl]-2-methylpropanamide
CID 130419714
2-[5-[[4-Cyclopropyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-4-methyl-1,3-thiazol-2-yl]-2-methylpropanamide
CID 130419722
5-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N,4-dimethyl-1,3-thiazole-2-carboxamide
CID 130419723
2-[5-[[4-(Cyclopropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-4-methyl-1,3-thiazol-2-yl]-2-methylpropanamide
CID 130419724
1,3-Dimethyl-3-[4-methyl-5-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]pyrrolidin-2-one
CID 162370164
3-[4-Cyclopropyl-5-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]-3-methylpyrrolidin-2-one
CID 162370169
3-[4-Cyclopropyl-5-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]-3-methylpyrrolidin-2-one
CID 162370171
(3R)-3-[4-cyclopropyl-5-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]-3-(trideuteriomethyl)pyrrolidin-2-one
CID 130409011
(3S)-3-[4-cyclopropyl-5-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]-3-(trideuteriomethyl)pyrrolidin-2-one
CID 130409072
N,4-dimethyl-5-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazole-2-carboxamide
CID 156449162
4-methyl-N-[4-methyl-5-(trifluoromethyl)pyrimidin-2-yl]-2-[2-(1,2,4-triazol-1-yl)propan-2-yl]-1,3-thiazol-5-amine
CID 158767139

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[4-methyl-5-[[4-methyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]propanamide?
The IUPAC name of 2-methyl-2-[4-methyl-5-[[4-methyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]propanamide (CID 160840380) is 2-methyl-2-[4-methyl-5-[[4-methyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for 2-methyl-2-[4-methyl-5-[[4-methyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for 2-methyl-2-[4-methyl-5-[[4-methyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]propanamide is Cc1nc(Nc2sc(C(C)(C)C(N)=O)nc2C)ncc1C(F)(F)F.
What is the InChIKey of 2-methyl-2-[4-methyl-5-[[4-methyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]propanamide?
The InChIKey is BYOQPDISCZWTBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N5OS/c1-6-8(14(15,16)17)5-19-12(21-6)22-9-7(2)20-11(24-9)13(3,4)10(18)23/h5H,1-4H3,(H2,18,23)(H,19,21,22).
What are the key properties of 2-methyl-2-[4-methyl-5-[[4-methyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]propanamide?
2-methyl-2-[4-methyl-5-[[4-methyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]propanamide has a molecular weight of 359.38 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[4-methyl-5-[[4-methyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 160840380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).