1-[4-[3-[(4-methylpyrimidin-2-yl)amino]phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide

C20H22N6OS — CID 67236104

IUPAC1-[4-[3-[(4-methylpyrimidin-2-yl)amino]phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide
SMILESCc1ccnc(Nc2cccc(-c3csc(N4CCC(C(N)=O)CC4)n3)c2)n1
InChIInChI=1S/C20H22N6OS/c1-13-5-8-22-19(23-13)24-16-4-2-3-15(11-16)17-12-28-20(25-17)26-9-6-14(7-10-26)18(21)27/h2-5,8,11-12,14H,6-7,9-10H2,1H3,(H2,21,27)(H,22,23,24)
InChIKeyFNNDMNBIDRQNEZ-UHFFFAOYSA-N
MW394.50 g/mol
LogP3.35
Rot. Bonds5

About 1-[4-[3-[(4-methylpyrimidin-2-yl)amino]phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide

1-[4-[3-[(4-methylpyrimidin-2-yl)amino]phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide (PubChem CID 67236104) has the molecular formula C20H22N6OS and a molecular weight of 394.50 g/mol. Its IUPAC name is 1-[4-[3-[(4-methylpyrimidin-2-yl)amino]phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-[3-[(4-methylpyrimidin-2-yl)amino]phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide
PubChem CID67236104
Molecular FormulaC20H22N6OS
Molecular Weight394.50 g/mol
Exact Mass394.16
IUPAC Name1-[4-[3-[(4-methylpyrimidin-2-yl)amino]phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide
SMILESCc1ccnc(Nc2cccc(-c3csc(N4CCC(C(N)=O)CC4)n3)c2)n1
InChIInChI=1S/C20H22N6OS/c1-13-5-8-22-19(23-13)24-16-4-2-3-15(11-16)17-12-28-20(25-17)26-9-6-14(7-10-26)18(21)27/h2-5,8,11-12,14H,6-7,9-10H2,1H3,(H2,21,27)(H,22,23,24)
InChIKeyFNNDMNBIDRQNEZ-UHFFFAOYSA-N
XLogP3.35
TPSA97.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 46907711
1-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 46907660
1-(4-naphthalen-1-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 630762
1-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 46907749
1-[4-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 46907689
1-[4-[2-(hydroxyamino)phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 123534585
1-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 46907682
3-methyl-N-[3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]butanamide
CID 810349
2-methoxy-N-[3-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenyl]acetamide
CID 810541
3-[3-[(4-methylpyrimidin-2-yl)amino]phenyl]-5-(1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 67244393
N-[1-(4-phenyl-1,3-thiazol-2-yl)piperidin-4-yl]acetamide
CID 133278132
1-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 623279

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-[(4-methylpyrimidin-2-yl)amino]phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[4-[3-[(4-methylpyrimidin-2-yl)amino]phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide (CID 67236104) is 1-[4-[3-[(4-methylpyrimidin-2-yl)amino]phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-[3-[(4-methylpyrimidin-2-yl)amino]phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[4-[3-[(4-methylpyrimidin-2-yl)amino]phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide is Cc1ccnc(Nc2cccc(-c3csc(N4CCC(C(N)=O)CC4)n3)c2)n1.
What is the InChIKey of 1-[4-[3-[(4-methylpyrimidin-2-yl)amino]phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide?
The InChIKey is FNNDMNBIDRQNEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6OS/c1-13-5-8-22-19(23-13)24-16-4-2-3-15(11-16)17-12-28-20(25-17)26-9-6-14(7-10-26)18(21)27/h2-5,8,11-12,14H,6-7,9-10H2,1H3,(H2,21,27)(H,22,23,24).
What are the key properties of 1-[4-[3-[(4-methylpyrimidin-2-yl)amino]phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide?
1-[4-[3-[(4-methylpyrimidin-2-yl)amino]phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide has a molecular weight of 394.50 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-[(4-methylpyrimidin-2-yl)amino]phenyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 67236104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).