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

C19H25N5O2S — CID 91793720

IUPACN-[3-(6-morpholin-4-ylpyrimidin-4-yl)cyclobutyl]-2-propyl-1,3-thiazole-4-carboxamide
SMILESCCCc1nc(C(=O)NC2CC(c3cc(N4CCOCC4)ncn3)C2)cs1
InChIInChI=1S/C19H25N5O2S/c1-2-3-18-23-16(11-27-18)19(25)22-14-8-13(9-14)15-10-17(21-12-20-15)24-4-6-26-7-5-24/h10-14H,2-9H2,1H3,(H,22,25)
InChIKeyLAEUBQPNZCPTPW-UHFFFAOYSA-N
MW387.51 g/mol
LogP2.40
Rot. Bonds6

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

N-[3-(6-morpholin-4-ylpyrimidin-4-yl)cyclobutyl]-2-propyl-1,3-thiazole-4-carboxamide (PubChem CID 91793720) has the molecular formula C19H25N5O2S and a molecular weight of 387.51 g/mol. Its IUPAC name is N-[3-(6-morpholin-4-ylpyrimidin-4-yl)cyclobutyl]-2-propyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(6-morpholin-4-ylpyrimidin-4-yl)cyclobutyl]-2-propyl-1,3-thiazole-4-carboxamide
PubChem CID91793720
Molecular FormulaC19H25N5O2S
Molecular Weight387.51 g/mol
Exact Mass387.17
IUPAC NameN-[3-(6-morpholin-4-ylpyrimidin-4-yl)cyclobutyl]-2-propyl-1,3-thiazole-4-carboxamide
SMILESCCCc1nc(C(=O)NC2CC(c3cc(N4CCOCC4)ncn3)C2)cs1
InChIInChI=1S/C19H25N5O2S/c1-2-3-18-23-16(11-27-18)19(25)22-14-8-13(9-14)15-10-17(21-12-20-15)24-4-6-26-7-5-24/h10-14H,2-9H2,1H3,(H,22,25)
InChIKeyLAEUBQPNZCPTPW-UHFFFAOYSA-N
XLogP2.40
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-(6-morpholin-4-ylpyrimidin-4-yl)cyclobutyl]-2-propyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[3-(6-morpholin-4-ylpyrimidin-4-yl)cyclobutyl]-2-propyl-1,3-thiazole-4-carboxamide (CID 91793720) is N-[3-(6-morpholin-4-ylpyrimidin-4-yl)cyclobutyl]-2-propyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[3-(6-morpholin-4-ylpyrimidin-4-yl)cyclobutyl]-2-propyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[3-(6-morpholin-4-ylpyrimidin-4-yl)cyclobutyl]-2-propyl-1,3-thiazole-4-carboxamide is CCCc1nc(C(=O)NC2CC(c3cc(N4CCOCC4)ncn3)C2)cs1.
What is the InChIKey of N-[3-(6-morpholin-4-ylpyrimidin-4-yl)cyclobutyl]-2-propyl-1,3-thiazole-4-carboxamide?
The InChIKey is LAEUBQPNZCPTPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2S/c1-2-3-18-23-16(11-27-18)19(25)22-14-8-13(9-14)15-10-17(21-12-20-15)24-4-6-26-7-5-24/h10-14H,2-9H2,1H3,(H,22,25).
What are the key properties of N-[3-(6-morpholin-4-ylpyrimidin-4-yl)cyclobutyl]-2-propyl-1,3-thiazole-4-carboxamide?
N-[3-(6-morpholin-4-ylpyrimidin-4-yl)cyclobutyl]-2-propyl-1,3-thiazole-4-carboxamide has a molecular weight of 387.51 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6-morpholin-4-ylpyrimidin-4-yl)cyclobutyl]-2-propyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 91793720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).