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

C19H23F3N4OS2 — CID 118433237

IUPACN-(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)c2csc(C3CC3NC3CCN(CC(F)(F)F)CC3)c2)s1
InChIInChI=1S/C19H23F3N4OS2/c1-11-23-8-17(29-11)25-18(27)12-6-16(28-9-12)14-7-15(14)24-13-2-4-26(5-3-13)10-19(20,21)22/h6,8-9,13-15,24H,2-5,7,10H2,1H3,(H,25,27)
InChIKeyNVMXAFNEBKDOEQ-UHFFFAOYSA-N
MW444.55 g/mol
LogP4.24
Rot. Bonds6

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

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 118433237) has the molecular formula C19H23F3N4OS2 and a molecular weight of 444.55 g/mol. Its IUPAC name is 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 NameN-(2-methyl-1,3-thiazol-5-yl)-5-[2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]cyclopropyl]thiophene-3-carboxamide
PubChem CID118433237
Molecular FormulaC19H23F3N4OS2
Molecular Weight444.55 g/mol
Exact Mass444.13
IUPAC NameN-(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)c2csc(C3CC3NC3CCN(CC(F)(F)F)CC3)c2)s1
InChIInChI=1S/C19H23F3N4OS2/c1-11-23-8-17(29-11)25-18(27)12-6-16(28-9-12)14-7-15(14)24-13-2-4-26(5-3-13)10-19(20,21)22/h6,8-9,13-15,24H,2-5,7,10H2,1H3,(H,25,27)
InChIKeyNVMXAFNEBKDOEQ-UHFFFAOYSA-N
XLogP4.24
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.55
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(trans-2-((4,4-difluorocyclohexyl)-amino)cyclopropyl)-N-(2-methyl-1,3-thiazol-5-yl)benzamide dihydrochloride
CID 118303965
N-(2-methyl-1,3-thiazol-5-yl)-5-((1R,2R)-2-(tetrahydro-2H-pyran-4-ylamino)-cyclopropyl)thio-phene-3-carboxamide
CID 118432716
N-(2-methyl-1,3-thiazol-5-yl)-5-((1R,2R)-2-((tetrahydro-2H-pyran-4-ylmethyl)-amino)cyclopropyl)-thiophene-3-carboxamide
CID 118433057
N-(2-methyl-1,3-thiazol-5-yl)-5-[(1S,2R)-2-(oxan-4-ylamino)cyclopropyl]thiophene-3-carboxamide
CID 131709607
N-(2-methyl-1,3-thiazol-5-yl)-5-[(1S,2R)-2-(oxan-4-ylmethylamino)cyclopropyl]thiophene-3-carboxamide
CID 131709610
N-[2-oxo-2-[[1-[4-(1,3-thiazol-2-yl)cyclohexyl]pyrrolidin-3-yl]amino]ethyl]-3-(trifluoromethyl)benzamide
CID 57896448
N-[2-Oxo-2-({(3R)-1-[4-(1,3-thiazol-2-yl)cyclohexyl]pyrrolidin-3-yl}amino)ethyl]-3-(trifluoromethyl)benzamide
CID 58751589
3-[(1S,2R)-2-[(4,4-difluorocyclohexyl)amino]cyclopropyl]-N-(2-methyl-1,3-thiazol-5-yl)benzamide
CID 118303969
3-[2-[(4,4-difluorocyclohexyl)amino]cyclopropyl]-N-(2-methyl-1,3-thiazol-5-yl)benzamide;dihydrochloride
CID 118305201
3-[(1S,2R)-2-[(4,4-difluorocyclohexyl)amino]cyclopropyl]-N-(2-methyl-1,3-thiazol-5-yl)benzamide;dihydrochloride
CID 118305202
N-(2-methyl-1,3-thiazol-5-yl)-4-[2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]cyclopropyl]thiophene-2-carboxamide
CID 118432643
5-methyl-N-(2-methyl-1,3-thiazol-5-yl)-4-[2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]cyclopropyl]thiophene-2-carboxamide
CID 118433309

Frequently Asked Questions

What is the IUPAC name of 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 N-(2-methyl-1,3-thiazol-5-yl)-5-[2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]cyclopropyl]thiophene-3-carboxamide (CID 118433237) is 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 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 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)c2csc(C3CC3NC3CCN(CC(F)(F)F)CC3)c2)s1.
What is the InChIKey of 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 NVMXAFNEBKDOEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N4OS2/c1-11-23-8-17(29-11)25-18(27)12-6-16(28-9-12)14-7-15(14)24-13-2-4-26(5-3-13)10-19(20,21)22/h6,8-9,13-15,24H,2-5,7,10H2,1H3,(H,25,27).
What are the key properties of N-(2-methyl-1,3-thiazol-5-yl)-5-[2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]cyclopropyl]thiophene-3-carboxamide?
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 444.55 g/mol, XLogP of 4.24, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 118433237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).