N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-(2-ethylimidazol-1-yl)propanamide

C14H19N5OS — CID 131935821

IUPACN-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-(2-ethylimidazol-1-yl)propanamide
SMILESCCc1nccn1CCC(=O)NCc1cn2c(n1)SCC2
InChIInChI=1S/C14H19N5OS/c1-2-12-15-4-6-18(12)5-3-13(20)16-9-11-10-19-7-8-21-14(19)17-11/h4,6,10H,2-3,5,7-9H2,1H3,(H,16,20)
InChIKeyATKQGMHYWDHCIG-UHFFFAOYSA-N
MW305.41 g/mol
LogP1.45
Rot. Bonds6

About N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-(2-ethylimidazol-1-yl)propanamide

N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-(2-ethylimidazol-1-yl)propanamide (PubChem CID 131935821) has the molecular formula C14H19N5OS and a molecular weight of 305.41 g/mol. Its IUPAC name is N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-(2-ethylimidazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-(2-ethylimidazol-1-yl)propanamide
PubChem CID131935821
Molecular FormulaC14H19N5OS
Molecular Weight305.41 g/mol
Exact Mass305.13
IUPAC NameN-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-(2-ethylimidazol-1-yl)propanamide
SMILESCCc1nccn1CCC(=O)NCc1cn2c(n1)SCC2
InChIInChI=1S/C14H19N5OS/c1-2-12-15-4-6-18(12)5-3-13(20)16-9-11-10-19-7-8-21-14(19)17-11/h4,6,10H,2-3,5,7-9H2,1H3,(H,16,20)
InChIKeyATKQGMHYWDHCIG-UHFFFAOYSA-N
XLogP1.45
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-(2-ethylimidazol-1-yl)propanamide?
The IUPAC name of N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-(2-ethylimidazol-1-yl)propanamide (CID 131935821) is N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-(2-ethylimidazol-1-yl)propanamide.
What is the SMILES notation for N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-(2-ethylimidazol-1-yl)propanamide?
The canonical SMILES for N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-(2-ethylimidazol-1-yl)propanamide is CCc1nccn1CCC(=O)NCc1cn2c(n1)SCC2.
What is the InChIKey of N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-(2-ethylimidazol-1-yl)propanamide?
The InChIKey is ATKQGMHYWDHCIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5OS/c1-2-12-15-4-6-18(12)5-3-13(20)16-9-11-10-19-7-8-21-14(19)17-11/h4,6,10H,2-3,5,7-9H2,1H3,(H,16,20).
What are the key properties of N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-(2-ethylimidazol-1-yl)propanamide?
N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-(2-ethylimidazol-1-yl)propanamide has a molecular weight of 305.41 g/mol, XLogP of 1.45, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-(2-ethylimidazol-1-yl)propanamide is sourced from PubChem (CID 131935821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).