2-methyl-N-(2-methyl-1,3-thiazol-5-yl)-5-[2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]cyclopropyl]thiophene-3-carboxamide

C20H25F3N4OS2 — CID 118433317

IUPAC2-methyl-N-(2-methyl-1,3-thiazol-5-yl)-5-[2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]cyclopropyl]thiophene-3-carboxamide
SMILESCc1ncc(NC(=O)c2cc(C3CC3NC3CCN(CC(F)(F)F)CC3)sc2C)s1
InChIInChI=1S/C20H25F3N4OS2/c1-11-14(19(28)26-18-9-24-12(2)30-18)8-17(29-11)15-7-16(15)25-13-3-5-27(6-4-13)10-20(21,22)23/h8-9,13,15-16,25H,3-7,10H2,1-2H3,(H,26,28)
InChIKeyGWZLUEQHEJASRW-UHFFFAOYSA-N
MW458.58 g/mol
LogP4.55
Rot. Bonds6

About 2-methyl-N-(2-methyl-1,3-thiazol-5-yl)-5-[2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]cyclopropyl]thiophene-3-carboxamide

2-methyl-N-(2-methyl-1,3-thiazol-5-yl)-5-[2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]cyclopropyl]thiophene-3-carboxamide (PubChem CID 118433317) has the molecular formula C20H25F3N4OS2 and a molecular weight of 458.58 g/mol. Its IUPAC name is 2-methyl-N-(2-methyl-1,3-thiazol-5-yl)-5-[2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]cyclopropyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(2-methyl-1,3-thiazol-5-yl)-5-[2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]cyclopropyl]thiophene-3-carboxamide
PubChem CID118433317
Molecular FormulaC20H25F3N4OS2
Molecular Weight458.58 g/mol
Exact Mass458.14
IUPAC Name2-methyl-N-(2-methyl-1,3-thiazol-5-yl)-5-[2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]cyclopropyl]thiophene-3-carboxamide
SMILESCc1ncc(NC(=O)c2cc(C3CC3NC3CCN(CC(F)(F)F)CC3)sc2C)s1
InChIInChI=1S/C20H25F3N4OS2/c1-11-14(19(28)26-18-9-24-12(2)30-18)8-17(29-11)15-7-16(15)25-13-3-5-27(6-4-13)10-20(21,22)23/h8-9,13,15-16,25H,3-7,10H2,1-2H3,(H,26,28)
InChIKeyGWZLUEQHEJASRW-UHFFFAOYSA-N
XLogP4.55
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.58
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methyl-1,3-thiazol-5-yl)-5-[2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]cyclopropyl]thiophene-3-carboxamide?
The IUPAC name of 2-methyl-N-(2-methyl-1,3-thiazol-5-yl)-5-[2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]cyclopropyl]thiophene-3-carboxamide (CID 118433317) is 2-methyl-N-(2-methyl-1,3-thiazol-5-yl)-5-[2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]cyclopropyl]thiophene-3-carboxamide.
What is the SMILES notation for 2-methyl-N-(2-methyl-1,3-thiazol-5-yl)-5-[2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]cyclopropyl]thiophene-3-carboxamide?
The canonical SMILES for 2-methyl-N-(2-methyl-1,3-thiazol-5-yl)-5-[2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]cyclopropyl]thiophene-3-carboxamide is Cc1ncc(NC(=O)c2cc(C3CC3NC3CCN(CC(F)(F)F)CC3)sc2C)s1.
What is the InChIKey of 2-methyl-N-(2-methyl-1,3-thiazol-5-yl)-5-[2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]cyclopropyl]thiophene-3-carboxamide?
The InChIKey is GWZLUEQHEJASRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F3N4OS2/c1-11-14(19(28)26-18-9-24-12(2)30-18)8-17(29-11)15-7-16(15)25-13-3-5-27(6-4-13)10-20(21,22)23/h8-9,13,15-16,25H,3-7,10H2,1-2H3,(H,26,28).
What are the key properties of 2-methyl-N-(2-methyl-1,3-thiazol-5-yl)-5-[2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]cyclopropyl]thiophene-3-carboxamide?
2-methyl-N-(2-methyl-1,3-thiazol-5-yl)-5-[2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]cyclopropyl]thiophene-3-carboxamide has a molecular weight of 458.58 g/mol, XLogP of 4.55, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methyl-1,3-thiazol-5-yl)-5-[2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]cyclopropyl]thiophene-3-carboxamide is sourced from PubChem (CID 118433317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).