1-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-yl]piperidine-4-carboxamide

C19H21N5OS2 — CID 44522315

IUPAC1-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-yl]piperidine-4-carboxamide
SMILESCc1nc(-c2nc(N3CCC(C(N)=O)CC3)ncc2-c2ccsc2)sc1C
InChIInChI=1S/C19H21N5OS2/c1-11-12(2)27-18(22-11)16-15(14-5-8-26-10-14)9-21-19(23-16)24-6-3-13(4-7-24)17(20)25/h5,8-10,13H,3-4,6-7H2,1-2H3,(H2,20,25)
InChIKeyKKRASDFPROHNOU-UHFFFAOYSA-N
MW399.55 g/mol
LogP3.65
Rot. Bonds4

About 1-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-yl]piperidine-4-carboxamide

1-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-yl]piperidine-4-carboxamide (PubChem CID 44522315) has the molecular formula C19H21N5OS2 and a molecular weight of 399.55 g/mol. Its IUPAC name is 1-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-yl]piperidine-4-carboxamide
PubChem CID44522315
Molecular FormulaC19H21N5OS2
Molecular Weight399.55 g/mol
Exact Mass399.12
IUPAC Name1-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-yl]piperidine-4-carboxamide
SMILESCc1nc(-c2nc(N3CCC(C(N)=O)CC3)ncc2-c2ccsc2)sc1C
InChIInChI=1S/C19H21N5OS2/c1-11-12(2)27-18(22-11)16-15(14-5-8-26-10-14)9-21-19(23-16)24-6-3-13(4-7-24)17(20)25/h5,8-10,13H,3-4,6-7H2,1-2H3,(H2,20,25)
InChIKeyKKRASDFPROHNOU-UHFFFAOYSA-N
XLogP3.65
TPSA85.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.55
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-yl]piperidine-4-carboxamide (CID 44522315) is 1-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-yl]piperidine-4-carboxamide is Cc1nc(-c2nc(N3CCC(C(N)=O)CC3)ncc2-c2ccsc2)sc1C.
What is the InChIKey of 1-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-yl]piperidine-4-carboxamide?
The InChIKey is KKRASDFPROHNOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5OS2/c1-11-12(2)27-18(22-11)16-15(14-5-8-26-10-14)9-21-19(23-16)24-6-3-13(4-7-24)17(20)25/h5,8-10,13H,3-4,6-7H2,1-2H3,(H2,20,25).
What are the key properties of 1-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-yl]piperidine-4-carboxamide?
1-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-yl]piperidine-4-carboxamide has a molecular weight of 399.55 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-5-thiophen-3-ylpyrimidin-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 44522315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).