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Cyclohexyl-[3-[2-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]methanone

C19H25N5OS — CID 155985160

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACcyclohexyl-[3-[2-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]methanone
SMILESO=C(C1CCCCC1)N1CCCC(c2ccnc(Nc3nccs3)n2)C1
InChIInChI=1S/C19H25N5OS/c25-17(14-5-2-1-3-6-14)24-11-4-7-15(13-24)16-8-9-20-18(22-16)23-19-21-10-12-26-19/h8-10,12,14-15H,1-7,11,13H2,(H,20,21,22,23)
InChIKeySTOLCSCGSIWJQS-UHFFFAOYSA-N
MW371.51 g/mol
LogP3.96
Rot. Bonds4

About Cyclohexyl-[3-[2-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]methanone

Cyclohexyl-[3-[2-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]methanone (PubChem CID 155985160) has the molecular formula C19H25N5OS and a molecular weight of 371.51 g/mol. Its IUPAC name is cyclohexyl-[3-[2-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound NameCyclohexyl-[3-[2-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]methanone
PubChem CID155985160
Molecular FormulaC19H25N5OS
Molecular Weight371.51 g/mol
Exact Mass371.18
IUPAC Namecyclohexyl-[3-[2-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]methanone
SMILESO=C(C1CCCCC1)N1CCCC(c2ccnc(Nc3nccs3)n2)C1
InChIInChI=1S/C19H25N5OS/c25-17(14-5-2-1-3-6-14)24-11-4-7-15(13-24)16-8-9-20-18(22-16)23-19-21-10-12-26-19/h8-10,12,14-15H,1-7,11,13H2,(H,20,21,22,23)
InChIKeySTOLCSCGSIWJQS-UHFFFAOYSA-N
XLogP3.96
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of Cyclohexyl-[3-[2-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]methanone?
The IUPAC name of Cyclohexyl-[3-[2-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]methanone (CID 155985160) is cyclohexyl-[3-[2-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]methanone.
What is the SMILES notation for Cyclohexyl-[3-[2-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]methanone?
The canonical SMILES for Cyclohexyl-[3-[2-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]methanone is O=C(C1CCCCC1)N1CCCC(c2ccnc(Nc3nccs3)n2)C1.
What is the InChIKey of Cyclohexyl-[3-[2-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]methanone?
The InChIKey is STOLCSCGSIWJQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5OS/c25-17(14-5-2-1-3-6-14)24-11-4-7-15(13-24)16-8-9-20-18(22-16)23-19-21-10-12-26-19/h8-10,12,14-15H,1-7,11,13H2,(H,20,21,22,23).
What are the key properties of Cyclohexyl-[3-[2-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]methanone?
Cyclohexyl-[3-[2-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]methanone has a molecular weight of 371.51 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for Cyclohexyl-[3-[2-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 155985160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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