2,4,5-tri(propan-2-yl)imidazo[4,5-d][1,3]thiazole

C13H21N3S — CID 177096352

IUPAC2,4,5-tri(propan-2-yl)imidazo[4,5-d][1,3]thiazole
SMILESCC(C)c1nc2c(nc(C(C)C)n2C(C)C)s1
InChIInChI=1S/C13H21N3S/c1-7(2)10-14-13-11(16(10)9(5)6)15-12(17-13)8(3)4/h7-9H,1-6H3
InChIKeyZEVKFSMJVIHSNW-UHFFFAOYSA-N
MW251.40 g/mol
LogP4.32
Rot. Bonds3

About 2,4,5-tri(propan-2-yl)imidazo[4,5-d][1,3]thiazole

2,4,5-tri(propan-2-yl)imidazo[4,5-d][1,3]thiazole (PubChem CID 177096352) has the molecular formula C13H21N3S and a molecular weight of 251.40 g/mol. Its IUPAC name is 2,4,5-tri(propan-2-yl)imidazo[4,5-d][1,3]thiazole.

Molecular Properties

Compound Name2,4,5-tri(propan-2-yl)imidazo[4,5-d][1,3]thiazole
PubChem CID177096352
Molecular FormulaC13H21N3S
Molecular Weight251.40 g/mol
Exact Mass251.15
IUPAC Name2,4,5-tri(propan-2-yl)imidazo[4,5-d][1,3]thiazole
SMILESCC(C)c1nc2c(nc(C(C)C)n2C(C)C)s1
InChIInChI=1S/C13H21N3S/c1-7(2)10-14-13-11(16(10)9(5)6)15-12(17-13)8(3)4/h7-9H,1-6H3
InChIKeyZEVKFSMJVIHSNW-UHFFFAOYSA-N
XLogP4.32
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.40
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,6,8,9-tetra(propan-2-yl)purine
CID 176767202
2,6-di(propan-2-yl)-[1,3]thiazolo[4,5-e][1,3]oxazine-5,7-dione
CID 58748053
4-propan-2-yl-5-thia-1,3,9-triazatricyclo[6.3.0.02,6]undeca-2(6),3,8,10-tetraene
CID 122696712
2-propan-2-yl-[1,3]thiazolo[5,4-d]pyrimidine
CID 58470040
6-ethoxy-8,9-di(propan-2-yl)purine
CID 154716536
4,5-dibromo-2-propan-2-yl-1,3-thiazole
CID 66521424
3-methyl-4,5-di(propan-2-yl)-1,2,4-triazole
CID 162010980
3-(bromomethyl)-4,5-di(propan-2-yl)-1,2,4-triazole
CID 115399043
methane;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine
CID 160984221
2-propan-2-yl-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
CID 130679895
2,5-di(propan-2-yl)-1,3-thiazol-4-amine
CID 82373516
5-benzyl-2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine
CID 167089504

Frequently Asked Questions

What is the IUPAC name of 2,4,5-tri(propan-2-yl)imidazo[4,5-d][1,3]thiazole?
The IUPAC name of 2,4,5-tri(propan-2-yl)imidazo[4,5-d][1,3]thiazole (CID 177096352) is 2,4,5-tri(propan-2-yl)imidazo[4,5-d][1,3]thiazole.
What is the SMILES notation for 2,4,5-tri(propan-2-yl)imidazo[4,5-d][1,3]thiazole?
The canonical SMILES for 2,4,5-tri(propan-2-yl)imidazo[4,5-d][1,3]thiazole is CC(C)c1nc2c(nc(C(C)C)n2C(C)C)s1.
What is the InChIKey of 2,4,5-tri(propan-2-yl)imidazo[4,5-d][1,3]thiazole?
The InChIKey is ZEVKFSMJVIHSNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3S/c1-7(2)10-14-13-11(16(10)9(5)6)15-12(17-13)8(3)4/h7-9H,1-6H3.
What are the key properties of 2,4,5-tri(propan-2-yl)imidazo[4,5-d][1,3]thiazole?
2,4,5-tri(propan-2-yl)imidazo[4,5-d][1,3]thiazole has a molecular weight of 251.40 g/mol, XLogP of 4.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-tri(propan-2-yl)imidazo[4,5-d][1,3]thiazole is sourced from PubChem (CID 177096352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).