N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide

C18H22F2N4OS — CID 55950311

IUPACN-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide
SMILESCNc1snc(C)c1C(=O)NC1CCN(Cc2ccc(F)c(F)c2)CC1
InChIInChI=1S/C18H22F2N4OS/c1-11-16(18(21-2)26-23-11)17(25)22-13-5-7-24(8-6-13)10-12-3-4-14(19)15(20)9-12/h3-4,9,13,21H,5-8,10H2,1-2H3,(H,22,25)
InChIKeyPCKQAVKYSRGNCC-UHFFFAOYSA-N
MW380.46 g/mol
LogP3.17
Rot. Bonds5

About N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide

N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide (PubChem CID 55950311) has the molecular formula C18H22F2N4OS and a molecular weight of 380.46 g/mol. Its IUPAC name is N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide
PubChem CID55950311
Molecular FormulaC18H22F2N4OS
Molecular Weight380.46 g/mol
Exact Mass380.15
IUPAC NameN-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide
SMILESCNc1snc(C)c1C(=O)NC1CCN(Cc2ccc(F)c(F)c2)CC1
InChIInChI=1S/C18H22F2N4OS/c1-11-16(18(21-2)26-23-11)17(25)22-13-5-7-24(8-6-13)10-12-3-4-14(19)15(20)9-12/h3-4,9,13,21H,5-8,10H2,1-2H3,(H,22,25)
InChIKeyPCKQAVKYSRGNCC-UHFFFAOYSA-N
XLogP3.17
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.46
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-4-propan-2-ylbenzamide
CID 55835804
1-amino-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide
CID 119857361
3-amino-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]benzamide;dihydrochloride
CID 119857402
2-amino-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]benzamide
CID 119946714
2-amino-N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-2-(4-methylphenyl)acetamide;dihydrochloride
CID 120669814
N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-3-(methanesulfonamido)-4-methylbenzamide
CID 55950566
N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 154878663
N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-4-pyrazol-1-ylpyridine-2-carboxamide
CID 136526672
1-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-3-(1-hydroxypropan-2-yl)urea
CID 110901505
N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-4-ethoxy-3-methoxybenzamide
CID 55837219
N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxamide
CID 55949930
N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]pyrrolidine-3-carboxamide
CID 119857425

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide?
The IUPAC name of N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide (CID 55950311) is N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide.
What is the SMILES notation for N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide?
The canonical SMILES for N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide is CNc1snc(C)c1C(=O)NC1CCN(Cc2ccc(F)c(F)c2)CC1.
What is the InChIKey of N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide?
The InChIKey is PCKQAVKYSRGNCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F2N4OS/c1-11-16(18(21-2)26-23-11)17(25)22-13-5-7-24(8-6-13)10-12-3-4-14(19)15(20)9-12/h3-4,9,13,21H,5-8,10H2,1-2H3,(H,22,25).
What are the key properties of N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide?
N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide has a molecular weight of 380.46 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 55950311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).