2-[4-cyclopropyl-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]acetonitrile

C15H21N3S — CID 82437647

IUPAC2-[4-cyclopropyl-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]acetonitrile
SMILESCC1CCCN(Cc2nc(C3CC3)c(CC#N)s2)C1
InChIInChI=1S/C15H21N3S/c1-11-3-2-8-18(9-11)10-14-17-15(12-4-5-12)13(19-14)6-7-16/h11-12H,2-6,8-10H2,1H3
InChIKeyCBFGTRMIZXTHID-UHFFFAOYSA-N
MW275.42 g/mol
LogP3.32
Rot. Bonds4

About 2-[4-cyclopropyl-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]acetonitrile

2-[4-cyclopropyl-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]acetonitrile (PubChem CID 82437647) has the molecular formula C15H21N3S and a molecular weight of 275.42 g/mol. Its IUPAC name is 2-[4-cyclopropyl-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]acetonitrile.

Molecular Properties

Compound Name2-[4-cyclopropyl-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]acetonitrile
PubChem CID82437647
Molecular FormulaC15H21N3S
Molecular Weight275.42 g/mol
Exact Mass275.15
IUPAC Name2-[4-cyclopropyl-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]acetonitrile
SMILESCC1CCCN(Cc2nc(C3CC3)c(CC#N)s2)C1
InChIInChI=1S/C15H21N3S/c1-11-3-2-8-18(9-11)10-14-17-15(12-4-5-12)13(19-14)6-7-16/h11-12H,2-6,8-10H2,1H3
InChIKeyCBFGTRMIZXTHID-UHFFFAOYSA-N
XLogP3.32
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-cyclopropyl-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methanol
CID 82437638
3-[4-cyclopropyl-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]propanoic acid
CID 82437655
2-[4-cyclopropyl-2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]acetonitrile
CID 82437627
2-[2-[2-(azepan-1-yl)ethyl]-4-cyclopropyl-1,3-thiazol-5-yl]acetonitrile
CID 82437911
2-[2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-4-yl]acetonitrile
CID 82515543
[4-methyl-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methanamine
CID 82427494
2-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]acetonitrile
CID 82135670
[4-(methoxymethyl)-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methanol
CID 82441519
N-[[4-ethyl-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 82430524
N-[[2-[(3-methylpiperidin-1-yl)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82435281
N-[[2-(azepan-1-ylmethyl)-4-cyclopropyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 82437923
2-[4-methyl-2-(3-methylpiperidin-1-yl)-1,3-thiazol-5-yl]acetonitrile
CID 82427908

Frequently Asked Questions

What is the IUPAC name of 2-[4-cyclopropyl-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]acetonitrile?
The IUPAC name of 2-[4-cyclopropyl-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]acetonitrile (CID 82437647) is 2-[4-cyclopropyl-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]acetonitrile.
What is the SMILES notation for 2-[4-cyclopropyl-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]acetonitrile?
The canonical SMILES for 2-[4-cyclopropyl-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]acetonitrile is CC1CCCN(Cc2nc(C3CC3)c(CC#N)s2)C1.
What is the InChIKey of 2-[4-cyclopropyl-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]acetonitrile?
The InChIKey is CBFGTRMIZXTHID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3S/c1-11-3-2-8-18(9-11)10-14-17-15(12-4-5-12)13(19-14)6-7-16/h11-12H,2-6,8-10H2,1H3.
What are the key properties of 2-[4-cyclopropyl-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]acetonitrile?
2-[4-cyclopropyl-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]acetonitrile has a molecular weight of 275.42 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-cyclopropyl-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]acetonitrile is sourced from PubChem (CID 82437647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).