4-(methylamino)-1-[2-[1-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethenylamino]phenyl]piperidine-4-carboxamide

C23H26N6OS — CID 89272006

IUPAC4-(methylamino)-1-[2-[1-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethenylamino]phenyl]piperidine-4-carboxamide
SMILESC=C(Nc1ccccc1N1CCC(NC)(C(N)=O)CC1)c1csc(-c2ccncc2)n1
InChIInChI=1S/C23H26N6OS/c1-16(19-15-31-21(28-19)17-7-11-26-12-8-17)27-18-5-3-4-6-20(18)29-13-9-23(25-2,10-14-29)22(24)30/h3-8,11-12,15,25,27H,1,9-10,13-14H2,2H3,(H2,24,30)
InChIKeyFKSMQDPGDIGQHR-UHFFFAOYSA-N
MW434.57 g/mol
LogP3.33
Rot. Bonds7

About 4-(methylamino)-1-[2-[1-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethenylamino]phenyl]piperidine-4-carboxamide

4-(methylamino)-1-[2-[1-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethenylamino]phenyl]piperidine-4-carboxamide (PubChem CID 89272006) has the molecular formula C23H26N6OS and a molecular weight of 434.57 g/mol. Its IUPAC name is 4-(methylamino)-1-[2-[1-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethenylamino]phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name4-(methylamino)-1-[2-[1-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethenylamino]phenyl]piperidine-4-carboxamide
PubChem CID89272006
Molecular FormulaC23H26N6OS
Molecular Weight434.57 g/mol
Exact Mass434.19
IUPAC Name4-(methylamino)-1-[2-[1-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethenylamino]phenyl]piperidine-4-carboxamide
SMILESC=C(Nc1ccccc1N1CCC(NC)(C(N)=O)CC1)c1csc(-c2ccncc2)n1
InChIInChI=1S/C23H26N6OS/c1-16(19-15-31-21(28-19)17-7-11-26-12-8-17)27-18-5-3-4-6-20(18)29-13-9-23(25-2,10-14-29)22(24)30/h3-8,11-12,15,25,27H,1,9-10,13-14H2,2H3,(H2,24,30)
InChIKeyFKSMQDPGDIGQHR-UHFFFAOYSA-N
XLogP3.33
TPSA96.17 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.57
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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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
N-[2-[4-acetyl-4-(methylamino)piperidin-1-yl]phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 71142454
1-[2-[[(2-bromo-1,3-thiazol-4-yl)-hydroxymethyl]amino]phenyl]-4-(methylamino)piperidine-4-carboxamide
CID 163971518
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-(methanesulfonamido)piperidin-1-yl]phenyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
CID 71142345
N-[2-(4-amino-4-carbamoylpiperidin-1-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 25097003
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-carbamoyl-4-morpholin-4-ylpiperidin-1-yl)phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 25098058
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 4-(methylamino)-1-[2-[1-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethenylamino]phenyl]piperidine-4-carboxamide?
The IUPAC name of 4-(methylamino)-1-[2-[1-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethenylamino]phenyl]piperidine-4-carboxamide (CID 89272006) is 4-(methylamino)-1-[2-[1-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethenylamino]phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 4-(methylamino)-1-[2-[1-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethenylamino]phenyl]piperidine-4-carboxamide?
The canonical SMILES for 4-(methylamino)-1-[2-[1-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethenylamino]phenyl]piperidine-4-carboxamide is C=C(Nc1ccccc1N1CCC(NC)(C(N)=O)CC1)c1csc(-c2ccncc2)n1.
What is the InChIKey of 4-(methylamino)-1-[2-[1-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethenylamino]phenyl]piperidine-4-carboxamide?
The InChIKey is FKSMQDPGDIGQHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6OS/c1-16(19-15-31-21(28-19)17-7-11-26-12-8-17)27-18-5-3-4-6-20(18)29-13-9-23(25-2,10-14-29)22(24)30/h3-8,11-12,15,25,27H,1,9-10,13-14H2,2H3,(H2,24,30).
What are the key properties of 4-(methylamino)-1-[2-[1-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethenylamino]phenyl]piperidine-4-carboxamide?
4-(methylamino)-1-[2-[1-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethenylamino]phenyl]piperidine-4-carboxamide has a molecular weight of 434.57 g/mol, XLogP of 3.33, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-1-[2-[1-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethenylamino]phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 89272006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).