N-[2-[4-carbamoyl-4-(methylamino)piperidin-1-yl]phenyl]-2-(2-oxo-1H-pyrimidin-5-yl)-1,3-thiazole-4-carboxamide

C21H23N7O3S — CID 136509988

IUPACN-[2-[4-carbamoyl-4-(methylamino)piperidin-1-yl]phenyl]-2-(2-oxo-1H-pyrimidin-5-yl)-1,3-thiazole-4-carboxamide
SMILESCNC1(C(N)=O)CCN(c2ccccc2NC(=O)c2csc(-c3cnc(=O)[nH]c3)n2)CC1
InChIInChI=1S/C21H23N7O3S/c1-23-21(19(22)30)6-8-28(9-7-21)16-5-3-2-4-14(16)26-17(29)15-12-32-18(27-15)13-10-24-20(31)25-11-13/h2-5,10-12,23H,6-9H2,1H3,(H2,22,30)(H,26,29)(H,24,25,31)
InChIKeyFNSDDKFTGHIJTK-UHFFFAOYSA-N
MW453.53 g/mol
LogP1.19
Rot. Bonds6

About N-[2-[4-carbamoyl-4-(methylamino)piperidin-1-yl]phenyl]-2-(2-oxo-1H-pyrimidin-5-yl)-1,3-thiazole-4-carboxamide

N-[2-[4-carbamoyl-4-(methylamino)piperidin-1-yl]phenyl]-2-(2-oxo-1H-pyrimidin-5-yl)-1,3-thiazole-4-carboxamide (PubChem CID 136509988) has the molecular formula C21H23N7O3S and a molecular weight of 453.53 g/mol. Its IUPAC name is N-[2-[4-carbamoyl-4-(methylamino)piperidin-1-yl]phenyl]-2-(2-oxo-1H-pyrimidin-5-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-[4-carbamoyl-4-(methylamino)piperidin-1-yl]phenyl]-2-(2-oxo-1H-pyrimidin-5-yl)-1,3-thiazole-4-carboxamide
PubChem CID136509988
Molecular FormulaC21H23N7O3S
Molecular Weight453.53 g/mol
Exact Mass453.16
IUPAC NameN-[2-[4-carbamoyl-4-(methylamino)piperidin-1-yl]phenyl]-2-(2-oxo-1H-pyrimidin-5-yl)-1,3-thiazole-4-carboxamide
SMILESCNC1(C(N)=O)CCN(c2ccccc2NC(=O)c2csc(-c3cnc(=O)[nH]c3)n2)CC1
InChIInChI=1S/C21H23N7O3S/c1-23-21(19(22)30)6-8-28(9-7-21)16-5-3-2-4-14(16)26-17(29)15-12-32-18(27-15)13-10-24-20(31)25-11-13/h2-5,10-12,23H,6-9H2,1H3,(H2,22,30)(H,26,29)(H,24,25,31)
InChIKeyFNSDDKFTGHIJTK-UHFFFAOYSA-N
XLogP1.19
TPSA146.10 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.53
LogP ≤ 51.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

N-[2-[4-carbamoyl-4-(methylamino)piperidin-1-yl]phenyl]-2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-4-carboxamide
CID 57335226
N-[2-[4-acetyl-4-(methylamino)piperidin-1-yl]phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 71142454
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
N-[2-(4-carbamoyl-4-morpholin-4-ylpiperidin-1-yl)phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 25098058
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-carbamoyl-4-(methylamino)piperidin-1-yl]-5-fluorophenyl]-2-(2,3-dihydro-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 126661885
N-[2-(4-amino-4-carbamoylpiperidin-1-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 25097003
1-[2-[[(2-bromo-1,3-thiazol-4-yl)-hydroxymethyl]amino]phenyl]-4-(methylamino)piperidine-4-carboxamide
CID 163971518
2-[4-(hydroxymethyl)phenyl]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
CID 71142445
N-[2-(4-carbamoyl-4-morpholin-4-ylpiperidin-1-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 71098055
N-[2-[4-amino-4-(aminomethyl)piperidin-1-yl]phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 71098117

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-carbamoyl-4-(methylamino)piperidin-1-yl]phenyl]-2-(2-oxo-1H-pyrimidin-5-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[2-[4-carbamoyl-4-(methylamino)piperidin-1-yl]phenyl]-2-(2-oxo-1H-pyrimidin-5-yl)-1,3-thiazole-4-carboxamide (CID 136509988) is N-[2-[4-carbamoyl-4-(methylamino)piperidin-1-yl]phenyl]-2-(2-oxo-1H-pyrimidin-5-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[2-[4-carbamoyl-4-(methylamino)piperidin-1-yl]phenyl]-2-(2-oxo-1H-pyrimidin-5-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[2-[4-carbamoyl-4-(methylamino)piperidin-1-yl]phenyl]-2-(2-oxo-1H-pyrimidin-5-yl)-1,3-thiazole-4-carboxamide is CNC1(C(N)=O)CCN(c2ccccc2NC(=O)c2csc(-c3cnc(=O)[nH]c3)n2)CC1.
What is the InChIKey of N-[2-[4-carbamoyl-4-(methylamino)piperidin-1-yl]phenyl]-2-(2-oxo-1H-pyrimidin-5-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is FNSDDKFTGHIJTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7O3S/c1-23-21(19(22)30)6-8-28(9-7-21)16-5-3-2-4-14(16)26-17(29)15-12-32-18(27-15)13-10-24-20(31)25-11-13/h2-5,10-12,23H,6-9H2,1H3,(H2,22,30)(H,26,29)(H,24,25,31).
What are the key properties of N-[2-[4-carbamoyl-4-(methylamino)piperidin-1-yl]phenyl]-2-(2-oxo-1H-pyrimidin-5-yl)-1,3-thiazole-4-carboxamide?
N-[2-[4-carbamoyl-4-(methylamino)piperidin-1-yl]phenyl]-2-(2-oxo-1H-pyrimidin-5-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 453.53 g/mol, XLogP of 1.19, 6 rotatable bonds, 4 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]phenyl]-2-(2-oxo-1H-pyrimidin-5-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 136509988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).