N-(cyclopropylmethyl)-1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-3-carboxamide

C18H24N4O2S — CID 47056226

IUPACN-(cyclopropylmethyl)-1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-3-carboxamide
SMILESCc1csc2nc(CN3CCCC(C(=O)NCC4CC4)C3)cc(=O)n12
InChIInChI=1S/C18H24N4O2S/c1-12-11-25-18-20-15(7-16(23)22(12)18)10-21-6-2-3-14(9-21)17(24)19-8-13-4-5-13/h7,11,13-14H,2-6,8-10H2,1H3,(H,19,24)
InChIKeyOVXGWYDYZKGTQP-UHFFFAOYSA-N
MW360.48 g/mol
LogP1.80
Rot. Bonds5

About N-(cyclopropylmethyl)-1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-3-carboxamide

N-(cyclopropylmethyl)-1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-3-carboxamide (PubChem CID 47056226) has the molecular formula C18H24N4O2S and a molecular weight of 360.48 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-3-carboxamide
PubChem CID47056226
Molecular FormulaC18H24N4O2S
Molecular Weight360.48 g/mol
Exact Mass360.16
IUPAC NameN-(cyclopropylmethyl)-1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-3-carboxamide
SMILESCc1csc2nc(CN3CCCC(C(=O)NCC4CC4)C3)cc(=O)n12
InChIInChI=1S/C18H24N4O2S/c1-12-11-25-18-20-15(7-16(23)22(12)18)10-21-6-2-3-14(9-21)17(24)19-8-13-4-5-13/h7,11,13-14H,2-6,8-10H2,1H3,(H,19,24)
InChIKeyOVXGWYDYZKGTQP-UHFFFAOYSA-N
XLogP1.80
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-3-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-3-carboxamide (CID 47056226) is N-(cyclopropylmethyl)-1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-3-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-3-carboxamide is Cc1csc2nc(CN3CCCC(C(=O)NCC4CC4)C3)cc(=O)n12.
What is the InChIKey of N-(cyclopropylmethyl)-1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-3-carboxamide?
The InChIKey is OVXGWYDYZKGTQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2S/c1-12-11-25-18-20-15(7-16(23)22(12)18)10-21-6-2-3-14(9-21)17(24)19-8-13-4-5-13/h7,11,13-14H,2-6,8-10H2,1H3,(H,19,24).
What are the key properties of N-(cyclopropylmethyl)-1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-3-carboxamide?
N-(cyclopropylmethyl)-1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-3-carboxamide has a molecular weight of 360.48 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 47056226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).