N-[2-[4-carbamoyl-4-(methylamino)piperidin-1-yl]-5-fluorophenyl]-2-(2,3-dihydro-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide

C20H24FN7O2S — CID 126661885

IUPACN-[2-[4-carbamoyl-4-(methylamino)piperidin-1-yl]-5-fluorophenyl]-2-(2,3-dihydro-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESCNC1(C(N)=O)CCN(c2ccc(F)cc2NC(=O)c2csc(C3=CNNC3)n2)CC1
InChIInChI=1S/C20H24FN7O2S/c1-23-20(19(22)30)4-6-28(7-5-20)16-3-2-13(21)8-14(16)26-17(29)15-11-31-18(27-15)12-9-24-25-10-12/h2-3,8-9,11,23-25H,4-7,10H2,1H3,(H2,22,30)(H,26,29)
InChIKeyATGKXGGXODMVRD-UHFFFAOYSA-N
MW445.52 g/mol
LogP1.03
Rot. Bonds6

About N-[2-[4-carbamoyl-4-(methylamino)piperidin-1-yl]-5-fluorophenyl]-2-(2,3-dihydro-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide

N-[2-[4-carbamoyl-4-(methylamino)piperidin-1-yl]-5-fluorophenyl]-2-(2,3-dihydro-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide (PubChem CID 126661885) has the molecular formula C20H24FN7O2S and a molecular weight of 445.52 g/mol. Its IUPAC name is N-[2-[4-carbamoyl-4-(methylamino)piperidin-1-yl]-5-fluorophenyl]-2-(2,3-dihydro-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-[4-carbamoyl-4-(methylamino)piperidin-1-yl]-5-fluorophenyl]-2-(2,3-dihydro-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
PubChem CID126661885
Molecular FormulaC20H24FN7O2S
Molecular Weight445.52 g/mol
Exact Mass445.17
IUPAC NameN-[2-[4-carbamoyl-4-(methylamino)piperidin-1-yl]-5-fluorophenyl]-2-(2,3-dihydro-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESCNC1(C(N)=O)CCN(c2ccc(F)cc2NC(=O)c2csc(C3=CNNC3)n2)CC1
InChIInChI=1S/C20H24FN7O2S/c1-23-20(19(22)30)4-6-28(7-5-20)16-3-2-13(21)8-14(16)26-17(29)15-11-31-18(27-15)12-9-24-25-10-12/h2-3,8-9,11,23-25H,4-7,10H2,1H3,(H2,22,30)(H,26,29)
InChIKeyATGKXGGXODMVRD-UHFFFAOYSA-N
XLogP1.03
TPSA124.41 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 51.03
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

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Related Compounds

N-[2-[4-carbamoyl-4-(methylamino)piperidin-1-yl]phenyl]-2-(2-oxo-1H-pyrimidin-5-yl)-1,3-thiazole-4-carboxamide
CID 136509988
N-[2-[4-carbamoyl-4-(methylamino)piperidin-1-yl]phenyl]-2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-4-carboxamide
CID 57335226
2-amino-N-[2-[4-carbamoyl-4-(methylamino)piperidin-1-yl]phenyl]-1,3-thiazole-4-carboxamide;cyclopentane
CID 143665645
4-(methylamino)-1-[2-[1-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethenylamino]phenyl]piperidine-4-carboxamide
CID 89272006
methyl 3-[[4-[[2-[4-carbamoyl-4-(methylamino)piperidin-1-yl]phenyl]carbamoyl]-1,3-thiazol-2-yl]amino]thiophene-2-carboxylate
CID 24965268
N-[2-[4-acetyl-4-(methylamino)piperidin-1-yl]phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 71142454
N-(5-carbamoyl-2-piperidin-1-ylphenyl)-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide
CID 24675937
N-(2,4-difluorophenyl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 4529483
N-[2-(4-amino-4-carbamoylpiperidin-1-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 25097003
4-fluoro-N-(5-fluoro-2-morpholin-4-ylphenyl)benzamide
CID 113092686
N-[5-amino-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]-2-[1-[(3,5-difluorophenyl)methyl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide
CID 56941461
N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-2-naphthalen-1-yl-1,3-thiazole-4-carboxamide
CID 167978877

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-carbamoyl-4-(methylamino)piperidin-1-yl]-5-fluorophenyl]-2-(2,3-dihydro-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[2-[4-carbamoyl-4-(methylamino)piperidin-1-yl]-5-fluorophenyl]-2-(2,3-dihydro-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide (CID 126661885) is N-[2-[4-carbamoyl-4-(methylamino)piperidin-1-yl]-5-fluorophenyl]-2-(2,3-dihydro-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[2-[4-carbamoyl-4-(methylamino)piperidin-1-yl]-5-fluorophenyl]-2-(2,3-dihydro-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[2-[4-carbamoyl-4-(methylamino)piperidin-1-yl]-5-fluorophenyl]-2-(2,3-dihydro-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide is CNC1(C(N)=O)CCN(c2ccc(F)cc2NC(=O)c2csc(C3=CNNC3)n2)CC1.
What is the InChIKey of N-[2-[4-carbamoyl-4-(methylamino)piperidin-1-yl]-5-fluorophenyl]-2-(2,3-dihydro-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is ATGKXGGXODMVRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN7O2S/c1-23-20(19(22)30)4-6-28(7-5-20)16-3-2-13(21)8-14(16)26-17(29)15-11-31-18(27-15)12-9-24-25-10-12/h2-3,8-9,11,23-25H,4-7,10H2,1H3,(H2,22,30)(H,26,29).
What are the key properties of N-[2-[4-carbamoyl-4-(methylamino)piperidin-1-yl]-5-fluorophenyl]-2-(2,3-dihydro-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
N-[2-[4-carbamoyl-4-(methylamino)piperidin-1-yl]-5-fluorophenyl]-2-(2,3-dihydro-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 445.52 g/mol, XLogP of 1.03, 6 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-carbamoyl-4-(methylamino)piperidin-1-yl]-5-fluorophenyl]-2-(2,3-dihydro-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 126661885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).