3-amino-5-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-1,2-thiazole-4-carbonitrile

C12H21N5S — CID 103379736

IUPAC3-amino-5-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-1,2-thiazole-4-carbonitrile
SMILESCC(C)CN(CCN(C)C)c1snc(N)c1C#N
InChIInChI=1S/C12H21N5S/c1-9(2)8-17(6-5-16(3)4)12-10(7-13)11(14)15-18-12/h9H,5-6,8H2,1-4H3,(H2,14,15)
InChIKeyINDLFAHKVWEWOU-UHFFFAOYSA-N
MW267.40 g/mol
LogP1.62
Rot. Bonds6

About 3-amino-5-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-1,2-thiazole-4-carbonitrile

3-amino-5-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-1,2-thiazole-4-carbonitrile (PubChem CID 103379736) has the molecular formula C12H21N5S and a molecular weight of 267.40 g/mol. Its IUPAC name is 3-amino-5-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-1,2-thiazole-4-carbonitrile.

Molecular Properties

Compound Name3-amino-5-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-1,2-thiazole-4-carbonitrile
PubChem CID103379736
Molecular FormulaC12H21N5S
Molecular Weight267.40 g/mol
Exact Mass267.15
IUPAC Name3-amino-5-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-1,2-thiazole-4-carbonitrile
SMILESCC(C)CN(CCN(C)C)c1snc(N)c1C#N
InChIInChI=1S/C12H21N5S/c1-9(2)8-17(6-5-16(3)4)12-10(7-13)11(14)15-18-12/h9H,5-6,8H2,1-4H3,(H2,14,15)
InChIKeyINDLFAHKVWEWOU-UHFFFAOYSA-N
XLogP1.62
TPSA69.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-1,2-thiazole-4-carbonitrile?
The IUPAC name of 3-amino-5-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-1,2-thiazole-4-carbonitrile (CID 103379736) is 3-amino-5-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-1,2-thiazole-4-carbonitrile.
What is the SMILES notation for 3-amino-5-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-1,2-thiazole-4-carbonitrile?
The canonical SMILES for 3-amino-5-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-1,2-thiazole-4-carbonitrile is CC(C)CN(CCN(C)C)c1snc(N)c1C#N.
What is the InChIKey of 3-amino-5-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-1,2-thiazole-4-carbonitrile?
The InChIKey is INDLFAHKVWEWOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5S/c1-9(2)8-17(6-5-16(3)4)12-10(7-13)11(14)15-18-12/h9H,5-6,8H2,1-4H3,(H2,14,15).
What are the key properties of 3-amino-5-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-1,2-thiazole-4-carbonitrile?
3-amino-5-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-1,2-thiazole-4-carbonitrile has a molecular weight of 267.40 g/mol, XLogP of 1.62, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-1,2-thiazole-4-carbonitrile is sourced from PubChem (CID 103379736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).