1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)cyclobutane-1-carbonitrile

C12H16N2S — CID 116886945

IUPAC1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)cyclobutane-1-carbonitrile
SMILESCc1nc(C(C)C)sc1C1(C#N)CCC1
InChIInChI=1S/C12H16N2S/c1-8(2)11-14-9(3)10(15-11)12(7-13)5-4-6-12/h8H,4-6H2,1-3H3
InChIKeyDZRTWKCGHOJKOJ-UHFFFAOYSA-N
MW220.34 g/mol
LogP3.52
Rot. Bonds2

About 1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)cyclobutane-1-carbonitrile

1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)cyclobutane-1-carbonitrile (PubChem CID 116886945) has the molecular formula C12H16N2S and a molecular weight of 220.34 g/mol. Its IUPAC name is 1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)cyclobutane-1-carbonitrile.

Molecular Properties

Compound Name1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)cyclobutane-1-carbonitrile
PubChem CID116886945
Molecular FormulaC12H16N2S
Molecular Weight220.34 g/mol
Exact Mass220.10
IUPAC Name1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)cyclobutane-1-carbonitrile
SMILESCc1nc(C(C)C)sc1C1(C#N)CCC1
InChIInChI=1S/C12H16N2S/c1-8(2)11-14-9(3)10(15-11)12(7-13)5-4-6-12/h8H,4-6H2,1-3H3
InChIKeyDZRTWKCGHOJKOJ-UHFFFAOYSA-N
XLogP3.52
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)cyclobutane-1-carbonitrile?
The IUPAC name of 1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)cyclobutane-1-carbonitrile (CID 116886945) is 1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)cyclobutane-1-carbonitrile.
What is the SMILES notation for 1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)cyclobutane-1-carbonitrile?
The canonical SMILES for 1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)cyclobutane-1-carbonitrile is Cc1nc(C(C)C)sc1C1(C#N)CCC1.
What is the InChIKey of 1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)cyclobutane-1-carbonitrile?
The InChIKey is DZRTWKCGHOJKOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2S/c1-8(2)11-14-9(3)10(15-11)12(7-13)5-4-6-12/h8H,4-6H2,1-3H3.
What are the key properties of 1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)cyclobutane-1-carbonitrile?
1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)cyclobutane-1-carbonitrile has a molecular weight of 220.34 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)cyclobutane-1-carbonitrile is sourced from PubChem (CID 116886945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).