6,6-dimethyl-3-[(5-propan-2-yl-4,5-dihydro-1H-imidazol-2-yl)sulfanylmethyl]-5H-imidazo[2,1-b][1,3]thiazole

C14H22N4S2 — CID 155166716

IUPAC6,6-dimethyl-3-[(5-propan-2-yl-4,5-dihydro-1H-imidazol-2-yl)sulfanylmethyl]-5H-imidazo[2,1-b][1,3]thiazole
SMILESCC(C)C1CN=C(SCC2=CSC3=NC(C)(C)CN23)N1
InChIInChI=1S/C14H22N4S2/c1-9(2)11-5-15-12(16-11)19-6-10-7-20-13-17-14(3,4)8-18(10)13/h7,9,11H,5-6,8H2,1-4H3,(H,15,16)
InChIKeyCXPHPPXWVRDXAQ-UHFFFAOYSA-N
MW310.49 g/mol
LogP2.74
Rot. Bonds3

About 6,6-dimethyl-3-[(5-propan-2-yl-4,5-dihydro-1H-imidazol-2-yl)sulfanylmethyl]-5H-imidazo[2,1-b][1,3]thiazole

6,6-dimethyl-3-[(5-propan-2-yl-4,5-dihydro-1H-imidazol-2-yl)sulfanylmethyl]-5H-imidazo[2,1-b][1,3]thiazole (PubChem CID 155166716) has the molecular formula C14H22N4S2 and a molecular weight of 310.49 g/mol. Its IUPAC name is 6,6-dimethyl-3-[(5-propan-2-yl-4,5-dihydro-1H-imidazol-2-yl)sulfanylmethyl]-5H-imidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name6,6-dimethyl-3-[(5-propan-2-yl-4,5-dihydro-1H-imidazol-2-yl)sulfanylmethyl]-5H-imidazo[2,1-b][1,3]thiazole
PubChem CID155166716
Molecular FormulaC14H22N4S2
Molecular Weight310.49 g/mol
Exact Mass310.13
IUPAC Name6,6-dimethyl-3-[(5-propan-2-yl-4,5-dihydro-1H-imidazol-2-yl)sulfanylmethyl]-5H-imidazo[2,1-b][1,3]thiazole
SMILESCC(C)C1CN=C(SCC2=CSC3=NC(C)(C)CN23)N1
InChIInChI=1S/C14H22N4S2/c1-9(2)11-5-15-12(16-11)19-6-10-7-20-13-17-14(3,4)8-18(10)13/h7,9,11H,5-6,8H2,1-4H3,(H,15,16)
InChIKeyCXPHPPXWVRDXAQ-UHFFFAOYSA-N
XLogP2.74
TPSA39.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.49
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-3-[(5-propan-2-yl-4,5-dihydro-1H-imidazol-2-yl)sulfanylmethyl]-5H-imidazo[2,1-b][1,3]thiazole?
The IUPAC name of 6,6-dimethyl-3-[(5-propan-2-yl-4,5-dihydro-1H-imidazol-2-yl)sulfanylmethyl]-5H-imidazo[2,1-b][1,3]thiazole (CID 155166716) is 6,6-dimethyl-3-[(5-propan-2-yl-4,5-dihydro-1H-imidazol-2-yl)sulfanylmethyl]-5H-imidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 6,6-dimethyl-3-[(5-propan-2-yl-4,5-dihydro-1H-imidazol-2-yl)sulfanylmethyl]-5H-imidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 6,6-dimethyl-3-[(5-propan-2-yl-4,5-dihydro-1H-imidazol-2-yl)sulfanylmethyl]-5H-imidazo[2,1-b][1,3]thiazole is CC(C)C1CN=C(SCC2=CSC3=NC(C)(C)CN23)N1.
What is the InChIKey of 6,6-dimethyl-3-[(5-propan-2-yl-4,5-dihydro-1H-imidazol-2-yl)sulfanylmethyl]-5H-imidazo[2,1-b][1,3]thiazole?
The InChIKey is CXPHPPXWVRDXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4S2/c1-9(2)11-5-15-12(16-11)19-6-10-7-20-13-17-14(3,4)8-18(10)13/h7,9,11H,5-6,8H2,1-4H3,(H,15,16).
What are the key properties of 6,6-dimethyl-3-[(5-propan-2-yl-4,5-dihydro-1H-imidazol-2-yl)sulfanylmethyl]-5H-imidazo[2,1-b][1,3]thiazole?
6,6-dimethyl-3-[(5-propan-2-yl-4,5-dihydro-1H-imidazol-2-yl)sulfanylmethyl]-5H-imidazo[2,1-b][1,3]thiazole has a molecular weight of 310.49 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-3-[(5-propan-2-yl-4,5-dihydro-1H-imidazol-2-yl)sulfanylmethyl]-5H-imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 155166716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).