5-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]pentanenitrile

C11H17N3S — CID 55259281

IUPAC5-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]pentanenitrile
SMILESCc1ncsc1CN(C)CCCCC#N
InChIInChI=1S/C11H17N3S/c1-10-11(15-9-13-10)8-14(2)7-5-3-4-6-12/h9H,3-5,7-8H2,1-2H3
InChIKeyFMLCRSFOWILQIO-UHFFFAOYSA-N
MW223.34 g/mol
LogP2.58
Rot. Bonds6

About 5-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]pentanenitrile

5-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]pentanenitrile (PubChem CID 55259281) has the molecular formula C11H17N3S and a molecular weight of 223.34 g/mol. Its IUPAC name is 5-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]pentanenitrile.

Molecular Properties

Compound Name5-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]pentanenitrile
PubChem CID55259281
Molecular FormulaC11H17N3S
Molecular Weight223.34 g/mol
Exact Mass223.11
IUPAC Name5-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]pentanenitrile
SMILESCc1ncsc1CN(C)CCCCC#N
InChIInChI=1S/C11H17N3S/c1-10-11(15-9-13-10)8-14(2)7-5-3-4-6-12/h9H,3-5,7-8H2,1-2H3
InChIKeyFMLCRSFOWILQIO-UHFFFAOYSA-N
XLogP2.58
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-cyanoethyl)-N-methyl-2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]acetamide
CID 63821061
N'-methyl-N-(2-methylpropyl)-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]butane-1,4-diamine
CID 63838282
N-methyl-2-(4-methyl-1,3-thiazol-5-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 134709892
3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]butanenitrile
CID 63821064
N-cyclopropyl-N'-methyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]butane-1,4-diamine
CID 63837383
N-cyclopropyl-N'-methyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]pentane-1,5-diamine
CID 63836693
4-[3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]propyl]aniline
CID 115342144
3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]propanethioamide
CID 63838147
N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-piperidin-4-ylpropan-1-amine
CID 55261344
N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-3-(4-methyl-1,3-thiazol-5-yl)propan-1-amine
CID 28641728
1-(4-fluorophenyl)-4-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]butan-1-one
CID 63838556
2-[2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]ethoxy]ethanol
CID 63837503

Frequently Asked Questions

What is the IUPAC name of 5-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]pentanenitrile?
The IUPAC name of 5-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]pentanenitrile (CID 55259281) is 5-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]pentanenitrile.
What is the SMILES notation for 5-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]pentanenitrile?
The canonical SMILES for 5-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]pentanenitrile is Cc1ncsc1CN(C)CCCCC#N.
What is the InChIKey of 5-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]pentanenitrile?
The InChIKey is FMLCRSFOWILQIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3S/c1-10-11(15-9-13-10)8-14(2)7-5-3-4-6-12/h9H,3-5,7-8H2,1-2H3.
What are the key properties of 5-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]pentanenitrile?
5-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]pentanenitrile has a molecular weight of 223.34 g/mol, XLogP of 2.58, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]pentanenitrile is sourced from PubChem (CID 55259281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).