[2-(methylamino)-1,3-thiazol-4-yl]-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methanone

C18H24N6OS — CID 56901537

IUPAC[2-(methylamino)-1,3-thiazol-4-yl]-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methanone
SMILESCNc1nc(C(=O)N2CCC(c3cc(N4CCCC4)ncn3)CC2)cs1
InChIInChI=1S/C18H24N6OS/c1-19-18-22-15(11-26-18)17(25)24-8-4-13(5-9-24)14-10-16(21-12-20-14)23-6-2-3-7-23/h10-13H,2-9H2,1H3,(H,19,22)
InChIKeyITBLMPROOPBWMR-UHFFFAOYSA-N
MW372.50 g/mol
LogP2.59
Rot. Bonds4

About [2-(methylamino)-1,3-thiazol-4-yl]-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methanone

[2-(methylamino)-1,3-thiazol-4-yl]-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methanone (PubChem CID 56901537) has the molecular formula C18H24N6OS and a molecular weight of 372.50 g/mol. Its IUPAC name is [2-(methylamino)-1,3-thiazol-4-yl]-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[2-(methylamino)-1,3-thiazol-4-yl]-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methanone
PubChem CID56901537
Molecular FormulaC18H24N6OS
Molecular Weight372.50 g/mol
Exact Mass372.17
IUPAC Name[2-(methylamino)-1,3-thiazol-4-yl]-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methanone
SMILESCNc1nc(C(=O)N2CCC(c3cc(N4CCCC4)ncn3)CC2)cs1
InChIInChI=1S/C18H24N6OS/c1-19-18-22-15(11-26-18)17(25)24-8-4-13(5-9-24)14-10-16(21-12-20-14)23-6-2-3-7-23/h10-13H,2-9H2,1H3,(H,19,22)
InChIKeyITBLMPROOPBWMR-UHFFFAOYSA-N
XLogP2.59
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.50
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-(methylamino)-1,3-thiazol-4-yl]-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methanone?
The IUPAC name of [2-(methylamino)-1,3-thiazol-4-yl]-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methanone (CID 56901537) is [2-(methylamino)-1,3-thiazol-4-yl]-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [2-(methylamino)-1,3-thiazol-4-yl]-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methanone?
The canonical SMILES for [2-(methylamino)-1,3-thiazol-4-yl]-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methanone is CNc1nc(C(=O)N2CCC(c3cc(N4CCCC4)ncn3)CC2)cs1.
What is the InChIKey of [2-(methylamino)-1,3-thiazol-4-yl]-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methanone?
The InChIKey is ITBLMPROOPBWMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6OS/c1-19-18-22-15(11-26-18)17(25)24-8-4-13(5-9-24)14-10-16(21-12-20-14)23-6-2-3-7-23/h10-13H,2-9H2,1H3,(H,19,22).
What are the key properties of [2-(methylamino)-1,3-thiazol-4-yl]-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methanone?
[2-(methylamino)-1,3-thiazol-4-yl]-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methanone has a molecular weight of 372.50 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylamino)-1,3-thiazol-4-yl]-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 56901537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).