2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-4,5-dihydro-1,3-thiazole

C10H10N4S2 — CID 694270

IUPAC2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-4,5-dihydro-1,3-thiazole
SMILESc1cnc2nc(CSC3=NCCS3)cn2c1
InChIInChI=1S/C10H10N4S2/c1-2-11-9-13-8(6-14(9)4-1)7-16-10-12-3-5-15-10/h1-2,4,6H,3,5,7H2
InChIKeyBUKXKNLIOGFGNP-UHFFFAOYSA-N
MW250.35 g/mol
LogP2.07
Rot. Bonds2

About 2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-4,5-dihydro-1,3-thiazole

2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-4,5-dihydro-1,3-thiazole (PubChem CID 694270) has the molecular formula C10H10N4S2 and a molecular weight of 250.35 g/mol. Its IUPAC name is 2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-4,5-dihydro-1,3-thiazole
PubChem CID694270
Molecular FormulaC10H10N4S2
Molecular Weight250.35 g/mol
Exact Mass250.03
IUPAC Name2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-4,5-dihydro-1,3-thiazole
SMILESc1cnc2nc(CSC3=NCCS3)cn2c1
InChIInChI=1S/C10H10N4S2/c1-2-11-9-13-8(6-14(9)4-1)7-16-10-12-3-5-15-10/h1-2,4,6H,3,5,7H2
InChIKeyBUKXKNLIOGFGNP-UHFFFAOYSA-N
XLogP2.07
TPSA42.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-4,5-dihydro-1,3-thiazole?
The IUPAC name of 2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-4,5-dihydro-1,3-thiazole (CID 694270) is 2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for 2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-4,5-dihydro-1,3-thiazole?
The canonical SMILES for 2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-4,5-dihydro-1,3-thiazole is c1cnc2nc(CSC3=NCCS3)cn2c1.
What is the InChIKey of 2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-4,5-dihydro-1,3-thiazole?
The InChIKey is BUKXKNLIOGFGNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4S2/c1-2-11-9-13-8(6-14(9)4-1)7-16-10-12-3-5-15-10/h1-2,4,6H,3,5,7H2.
What are the key properties of 2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-4,5-dihydro-1,3-thiazole?
2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-4,5-dihydro-1,3-thiazole has a molecular weight of 250.35 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 694270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).