3-amino-5-(4-ethylazepan-1-yl)-1,2-thiazole-4-carbonitrile

C12H18N4S — CID 103382060

IUPAC3-amino-5-(4-ethylazepan-1-yl)-1,2-thiazole-4-carbonitrile
SMILESCCC1CCCN(c2snc(N)c2C#N)CC1
InChIInChI=1S/C12H18N4S/c1-2-9-4-3-6-16(7-5-9)12-10(8-13)11(14)15-17-12/h9H,2-7H2,1H3,(H2,14,15)
InChIKeyQHGPMLIGSVPPPS-UHFFFAOYSA-N
MW250.37 g/mol
LogP2.61
Rot. Bonds2

About 3-amino-5-(4-ethylazepan-1-yl)-1,2-thiazole-4-carbonitrile

3-amino-5-(4-ethylazepan-1-yl)-1,2-thiazole-4-carbonitrile (PubChem CID 103382060) has the molecular formula C12H18N4S and a molecular weight of 250.37 g/mol. Its IUPAC name is 3-amino-5-(4-ethylazepan-1-yl)-1,2-thiazole-4-carbonitrile.

Molecular Properties

Compound Name3-amino-5-(4-ethylazepan-1-yl)-1,2-thiazole-4-carbonitrile
PubChem CID103382060
Molecular FormulaC12H18N4S
Molecular Weight250.37 g/mol
Exact Mass250.13
IUPAC Name3-amino-5-(4-ethylazepan-1-yl)-1,2-thiazole-4-carbonitrile
SMILESCCC1CCCN(c2snc(N)c2C#N)CC1
InChIInChI=1S/C12H18N4S/c1-2-9-4-3-6-16(7-5-9)12-10(8-13)11(14)15-17-12/h9H,2-7H2,1H3,(H2,14,15)
InChIKeyQHGPMLIGSVPPPS-UHFFFAOYSA-N
XLogP2.61
TPSA65.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-5-[3-(methoxymethyl)pyrrolidin-1-yl]-1,2-thiazole-4-carbonitrile
CID 103382102
3-amino-5-(4-cyclopentylpiperazin-1-yl)-1,2-thiazole-4-carbonitrile
CID 103381604
3-amino-5-(4-ethylazepan-1-yl)-4-methoxythiophene-2-carbonitrile
CID 103422587
3-amino-5-(4-ethylpiperidin-1-yl)-1,2-thiazole-4-carboxamide
CID 103380794
3-amino-5-(4-ethylpiperidin-1-yl)-N,N-dimethyl-1,2-thiazole-4-sulfonamide
CID 103361819
3-amino-5-(3,5-dimethylpiperidin-1-yl)-1,2-thiazole-4-carbonitrile
CID 103381020
4-amino-5-cyano-2-(4-ethylazepan-1-yl)-N-methylthiophene-3-carboxamide
CID 103422590
4-ethoxy-5-(4-propylazepan-1-yl)-1,2-thiazol-3-amine
CID 103363122
3-amino-5-[(4-ethylcyclohexyl)methylamino]-1,2-thiazole-4-carbonitrile
CID 103383180
3-amino-5-(4-methyl-3-oxopiperazin-1-yl)-1,2-thiazole-4-carbonitrile
CID 103382124
3-amino-5-[4-(4-chlorophenyl)piperazin-1-yl]-1,2-thiazole-4-carbonitrile
CID 103380964
3-amino-5-(3-ethylmorpholin-4-yl)-1,2-thiazole-4-carbonitrile
CID 103379570

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(4-ethylazepan-1-yl)-1,2-thiazole-4-carbonitrile?
The IUPAC name of 3-amino-5-(4-ethylazepan-1-yl)-1,2-thiazole-4-carbonitrile (CID 103382060) is 3-amino-5-(4-ethylazepan-1-yl)-1,2-thiazole-4-carbonitrile.
What is the SMILES notation for 3-amino-5-(4-ethylazepan-1-yl)-1,2-thiazole-4-carbonitrile?
The canonical SMILES for 3-amino-5-(4-ethylazepan-1-yl)-1,2-thiazole-4-carbonitrile is CCC1CCCN(c2snc(N)c2C#N)CC1.
What is the InChIKey of 3-amino-5-(4-ethylazepan-1-yl)-1,2-thiazole-4-carbonitrile?
The InChIKey is QHGPMLIGSVPPPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4S/c1-2-9-4-3-6-16(7-5-9)12-10(8-13)11(14)15-17-12/h9H,2-7H2,1H3,(H2,14,15).
What are the key properties of 3-amino-5-(4-ethylazepan-1-yl)-1,2-thiazole-4-carbonitrile?
3-amino-5-(4-ethylazepan-1-yl)-1,2-thiazole-4-carbonitrile has a molecular weight of 250.37 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(4-ethylazepan-1-yl)-1,2-thiazole-4-carbonitrile is sourced from PubChem (CID 103382060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).