3-[(4-methyl-1,3-thiazol-2-yl)methylamino]-1-phenylcyclobutane-1-carbonitrile

C16H17N3S — CID 64904637

IUPAC3-[(4-methyl-1,3-thiazol-2-yl)methylamino]-1-phenylcyclobutane-1-carbonitrile
SMILESCc1csc(CNC2CC(C#N)(c3ccccc3)C2)n1
InChIInChI=1S/C16H17N3S/c1-12-10-20-15(19-12)9-18-14-7-16(8-14,11-17)13-5-3-2-4-6-13/h2-6,10,14,18H,7-9H2,1H3
InChIKeySTOAZHDCXPVTPC-UHFFFAOYSA-N
MW283.40 g/mol
LogP3.17
Rot. Bonds4

About 3-[(4-methyl-1,3-thiazol-2-yl)methylamino]-1-phenylcyclobutane-1-carbonitrile

3-[(4-methyl-1,3-thiazol-2-yl)methylamino]-1-phenylcyclobutane-1-carbonitrile (PubChem CID 64904637) has the molecular formula C16H17N3S and a molecular weight of 283.40 g/mol. Its IUPAC name is 3-[(4-methyl-1,3-thiazol-2-yl)methylamino]-1-phenylcyclobutane-1-carbonitrile.

Molecular Properties

Compound Name3-[(4-methyl-1,3-thiazol-2-yl)methylamino]-1-phenylcyclobutane-1-carbonitrile
PubChem CID64904637
Molecular FormulaC16H17N3S
Molecular Weight283.40 g/mol
Exact Mass283.11
IUPAC Name3-[(4-methyl-1,3-thiazol-2-yl)methylamino]-1-phenylcyclobutane-1-carbonitrile
SMILESCc1csc(CNC2CC(C#N)(c3ccccc3)C2)n1
InChIInChI=1S/C16H17N3S/c1-12-10-20-15(19-12)9-18-14-7-16(8-14,11-17)13-5-3-2-4-6-13/h2-6,10,14,18H,7-9H2,1H3
InChIKeySTOAZHDCXPVTPC-UHFFFAOYSA-N
XLogP3.17
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,2-dimethylpropylamino)-1-phenylcyclobutane-1-carbonitrile
CID 64905056
3-(but-2-ynylamino)-1-phenylcyclobutane-1-carbonitrile
CID 113464533
3-(butylamino)-1-phenylcyclobutane-1-carbonitrile
CID 64905853
3-[(1-methylcyclobutyl)methylamino]-1-phenylcyclobutane-1-carbonitrile
CID 102613024
3-(3-methoxypropylamino)-1-phenylcyclobutane-1-carbonitrile
CID 64904843
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,1-dioxothietan-3-amine
CID 131025858
3-(hydroxyamino)-1-phenylcyclobutane-1-carbonitrile
CID 82684802
6-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyridine-2-carbonitrile
CID 64588768
3-[(1-ethylcyclobutyl)methylamino]-1-phenylcyclobutane-1-carbonitrile
CID 102612903
3-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-1-phenylcyclobutane-1-carbonitrile
CID 102612783
1-phenyl-3-[1-(1,3-thiazol-2-yl)ethylamino]cyclobutane-1-carbonitrile
CID 64904016
1-phenyl-3-(propan-2-ylamino)cyclobutane-1-carbonitrile
CID 64904200

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methyl-1,3-thiazol-2-yl)methylamino]-1-phenylcyclobutane-1-carbonitrile?
The IUPAC name of 3-[(4-methyl-1,3-thiazol-2-yl)methylamino]-1-phenylcyclobutane-1-carbonitrile (CID 64904637) is 3-[(4-methyl-1,3-thiazol-2-yl)methylamino]-1-phenylcyclobutane-1-carbonitrile.
What is the SMILES notation for 3-[(4-methyl-1,3-thiazol-2-yl)methylamino]-1-phenylcyclobutane-1-carbonitrile?
The canonical SMILES for 3-[(4-methyl-1,3-thiazol-2-yl)methylamino]-1-phenylcyclobutane-1-carbonitrile is Cc1csc(CNC2CC(C#N)(c3ccccc3)C2)n1.
What is the InChIKey of 3-[(4-methyl-1,3-thiazol-2-yl)methylamino]-1-phenylcyclobutane-1-carbonitrile?
The InChIKey is STOAZHDCXPVTPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3S/c1-12-10-20-15(19-12)9-18-14-7-16(8-14,11-17)13-5-3-2-4-6-13/h2-6,10,14,18H,7-9H2,1H3.
What are the key properties of 3-[(4-methyl-1,3-thiazol-2-yl)methylamino]-1-phenylcyclobutane-1-carbonitrile?
3-[(4-methyl-1,3-thiazol-2-yl)methylamino]-1-phenylcyclobutane-1-carbonitrile has a molecular weight of 283.40 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methyl-1,3-thiazol-2-yl)methylamino]-1-phenylcyclobutane-1-carbonitrile is sourced from PubChem (CID 64904637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).