3-amino-5-[butan-2-yl(2-methoxyethyl)amino]-1,2-thiazole-4-carbonitrile

C11H18N4OS — CID 103380560

IUPAC3-amino-5-[butan-2-yl(2-methoxyethyl)amino]-1,2-thiazole-4-carbonitrile
SMILESCCC(C)N(CCOC)c1snc(N)c1C#N
InChIInChI=1S/C11H18N4OS/c1-4-8(2)15(5-6-16-3)11-9(7-12)10(13)14-17-11/h8H,4-6H2,1-3H3,(H2,13,14)
InChIKeyZNQCITJQCONFNK-UHFFFAOYSA-N
MW254.36 g/mol
LogP1.85
Rot. Bonds6

About 3-amino-5-[butan-2-yl(2-methoxyethyl)amino]-1,2-thiazole-4-carbonitrile

3-amino-5-[butan-2-yl(2-methoxyethyl)amino]-1,2-thiazole-4-carbonitrile (PubChem CID 103380560) has the molecular formula C11H18N4OS and a molecular weight of 254.36 g/mol. Its IUPAC name is 3-amino-5-[butan-2-yl(2-methoxyethyl)amino]-1,2-thiazole-4-carbonitrile.

Molecular Properties

Compound Name3-amino-5-[butan-2-yl(2-methoxyethyl)amino]-1,2-thiazole-4-carbonitrile
PubChem CID103380560
Molecular FormulaC11H18N4OS
Molecular Weight254.36 g/mol
Exact Mass254.12
IUPAC Name3-amino-5-[butan-2-yl(2-methoxyethyl)amino]-1,2-thiazole-4-carbonitrile
SMILESCCC(C)N(CCOC)c1snc(N)c1C#N
InChIInChI=1S/C11H18N4OS/c1-4-8(2)15(5-6-16-3)11-9(7-12)10(13)14-17-11/h8H,4-6H2,1-3H3,(H2,13,14)
InChIKeyZNQCITJQCONFNK-UHFFFAOYSA-N
XLogP1.85
TPSA75.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-5-[ethyl(1-methoxypropan-2-yl)amino]-1,2-thiazole-4-carbonitrile
CID 103379744
5-N-butan-2-yl-5-N-(2-methoxyethyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
CID 103361569
3-amino-5-[butan-2-yl(2-methoxyethyl)amino]-N-methyl-1,2-thiazole-4-carboxamide
CID 103380561
5-N-(2-methoxyethyl)-5-N-propan-2-yl-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
CID 103364962
5-N-(2-methoxyethyl)-4-methylsulfanyl-5-N-propan-2-yl-1,2-thiazole-3,5-diamine
CID 103364955
ethyl 3-amino-5-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-1,2-thiazole-4-carboxylate
CID 103380533
3-amino-5-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-1,2-thiazole-4-carbonitrile
CID 103379736
3-amino-5-[ethyl(2,2,2-trifluoroethyl)amino]-1,2-thiazole-4-carbonitrile
CID 103379711
5-N-(2-methoxyethyl)-4-methyl-5-N-(2-methylpropyl)-1,2-thiazole-3,5-diamine
CID 103360763
5-N-(2-methoxyethyl)-5-N-methyl-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
CID 103361756
6-N-butan-2-yl-3,5-difluoro-6-N-(2-methoxyethyl)pyridine-2,6-diamine
CID 114074357
3-[butan-2-yl(2-methoxyethyl)amino]benzonitrile
CID 102815884

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[butan-2-yl(2-methoxyethyl)amino]-1,2-thiazole-4-carbonitrile?
The IUPAC name of 3-amino-5-[butan-2-yl(2-methoxyethyl)amino]-1,2-thiazole-4-carbonitrile (CID 103380560) is 3-amino-5-[butan-2-yl(2-methoxyethyl)amino]-1,2-thiazole-4-carbonitrile.
What is the SMILES notation for 3-amino-5-[butan-2-yl(2-methoxyethyl)amino]-1,2-thiazole-4-carbonitrile?
The canonical SMILES for 3-amino-5-[butan-2-yl(2-methoxyethyl)amino]-1,2-thiazole-4-carbonitrile is CCC(C)N(CCOC)c1snc(N)c1C#N.
What is the InChIKey of 3-amino-5-[butan-2-yl(2-methoxyethyl)amino]-1,2-thiazole-4-carbonitrile?
The InChIKey is ZNQCITJQCONFNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4OS/c1-4-8(2)15(5-6-16-3)11-9(7-12)10(13)14-17-11/h8H,4-6H2,1-3H3,(H2,13,14).
What are the key properties of 3-amino-5-[butan-2-yl(2-methoxyethyl)amino]-1,2-thiazole-4-carbonitrile?
3-amino-5-[butan-2-yl(2-methoxyethyl)amino]-1,2-thiazole-4-carbonitrile has a molecular weight of 254.36 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[butan-2-yl(2-methoxyethyl)amino]-1,2-thiazole-4-carbonitrile is sourced from PubChem (CID 103380560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).