N-cyclopropyl-2-[4-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazin-1-yl]propanamide

C18H25N5O2S — CID 43037852

IUPACN-cyclopropyl-2-[4-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazin-1-yl]propanamide
SMILESCc1csc2nc(CN3CCN(C(C)C(=O)NC4CC4)CC3)cc(=O)n12
InChIInChI=1S/C18H25N5O2S/c1-12-11-26-18-20-15(9-16(24)23(12)18)10-21-5-7-22(8-6-21)13(2)17(25)19-14-3-4-14/h9,11,13-14H,3-8,10H2,1-2H3,(H,19,25)
InChIKeyAIRHGWOZINPBSP-UHFFFAOYSA-N
MW375.50 g/mol
LogP0.85
Rot. Bonds5

About N-cyclopropyl-2-[4-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazin-1-yl]propanamide

N-cyclopropyl-2-[4-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazin-1-yl]propanamide (PubChem CID 43037852) has the molecular formula C18H25N5O2S and a molecular weight of 375.50 g/mol. Its IUPAC name is N-cyclopropyl-2-[4-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[4-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazin-1-yl]propanamide
PubChem CID43037852
Molecular FormulaC18H25N5O2S
Molecular Weight375.50 g/mol
Exact Mass375.17
IUPAC NameN-cyclopropyl-2-[4-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazin-1-yl]propanamide
SMILESCc1csc2nc(CN3CCN(C(C)C(=O)NC4CC4)CC3)cc(=O)n12
InChIInChI=1S/C18H25N5O2S/c1-12-11-26-18-20-15(9-16(24)23(12)18)10-21-5-7-22(8-6-21)13(2)17(25)19-14-3-4-14/h9,11,13-14H,3-8,10H2,1-2H3,(H,19,25)
InChIKeyAIRHGWOZINPBSP-UHFFFAOYSA-N
XLogP0.85
TPSA69.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.50
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[4-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazin-1-yl]propanamide?
The IUPAC name of N-cyclopropyl-2-[4-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazin-1-yl]propanamide (CID 43037852) is N-cyclopropyl-2-[4-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazin-1-yl]propanamide.
What is the SMILES notation for N-cyclopropyl-2-[4-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazin-1-yl]propanamide?
The canonical SMILES for N-cyclopropyl-2-[4-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazin-1-yl]propanamide is Cc1csc2nc(CN3CCN(C(C)C(=O)NC4CC4)CC3)cc(=O)n12.
What is the InChIKey of N-cyclopropyl-2-[4-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazin-1-yl]propanamide?
The InChIKey is AIRHGWOZINPBSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2S/c1-12-11-26-18-20-15(9-16(24)23(12)18)10-21-5-7-22(8-6-21)13(2)17(25)19-14-3-4-14/h9,11,13-14H,3-8,10H2,1-2H3,(H,19,25).
What are the key properties of N-cyclopropyl-2-[4-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazin-1-yl]propanamide?
N-cyclopropyl-2-[4-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazin-1-yl]propanamide has a molecular weight of 375.50 g/mol, XLogP of 0.85, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[4-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazin-1-yl]propanamide is sourced from PubChem (CID 43037852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).