N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]-2-propyl-1,3-thiazole-4-carboxamide

C16H21N5O2S — CID 70780022

IUPACN-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]-2-propyl-1,3-thiazole-4-carboxamide
SMILESCCCc1nc(C(=O)NCc2cc(N3CCOCC3)ncn2)cs1
InChIInChI=1S/C16H21N5O2S/c1-2-3-15-20-13(10-24-15)16(22)17-9-12-8-14(19-11-18-12)21-4-6-23-7-5-21/h8,10-11H,2-7,9H2,1H3,(H,17,22)
InChIKeyUZWSIBKAVMDWIR-UHFFFAOYSA-N
MW347.44 g/mol
LogP1.65
Rot. Bonds6

About N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]-2-propyl-1,3-thiazole-4-carboxamide

N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]-2-propyl-1,3-thiazole-4-carboxamide (PubChem CID 70780022) has the molecular formula C16H21N5O2S and a molecular weight of 347.44 g/mol. Its IUPAC name is N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]-2-propyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]-2-propyl-1,3-thiazole-4-carboxamide
PubChem CID70780022
Molecular FormulaC16H21N5O2S
Molecular Weight347.44 g/mol
Exact Mass347.14
IUPAC NameN-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]-2-propyl-1,3-thiazole-4-carboxamide
SMILESCCCc1nc(C(=O)NCc2cc(N3CCOCC3)ncn2)cs1
InChIInChI=1S/C16H21N5O2S/c1-2-3-15-20-13(10-24-15)16(22)17-9-12-8-14(19-11-18-12)21-4-6-23-7-5-21/h8,10-11H,2-7,9H2,1H3,(H,17,22)
InChIKeyUZWSIBKAVMDWIR-UHFFFAOYSA-N
XLogP1.65
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]-2-propyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]-2-propyl-1,3-thiazole-4-carboxamide (CID 70780022) is N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]-2-propyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]-2-propyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]-2-propyl-1,3-thiazole-4-carboxamide is CCCc1nc(C(=O)NCc2cc(N3CCOCC3)ncn2)cs1.
What is the InChIKey of N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]-2-propyl-1,3-thiazole-4-carboxamide?
The InChIKey is UZWSIBKAVMDWIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2S/c1-2-3-15-20-13(10-24-15)16(22)17-9-12-8-14(19-11-18-12)21-4-6-23-7-5-21/h8,10-11H,2-7,9H2,1H3,(H,17,22).
What are the key properties of N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]-2-propyl-1,3-thiazole-4-carboxamide?
N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]-2-propyl-1,3-thiazole-4-carboxamide has a molecular weight of 347.44 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]-2-propyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 70780022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).