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

C11H16N4S — CID 103380284

IUPAC3-amino-5-[cyclopropyl(2-methylpropyl)amino]-1,2-thiazole-4-carbonitrile
SMILESCC(C)CN(c1snc(N)c1C#N)C1CC1
InChIInChI=1S/C11H16N4S/c1-7(2)6-15(8-3-4-8)11-9(5-12)10(13)14-16-11/h7-8H,3-4,6H2,1-2H3,(H2,13,14)
InChIKeyMVXLKIPAGZBQMG-UHFFFAOYSA-N
MW236.34 g/mol
LogP2.22
Rot. Bonds4

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

3-amino-5-[cyclopropyl(2-methylpropyl)amino]-1,2-thiazole-4-carbonitrile (PubChem CID 103380284) has the molecular formula C11H16N4S and a molecular weight of 236.34 g/mol. Its IUPAC name is 3-amino-5-[cyclopropyl(2-methylpropyl)amino]-1,2-thiazole-4-carbonitrile.

Molecular Properties

Compound Name3-amino-5-[cyclopropyl(2-methylpropyl)amino]-1,2-thiazole-4-carbonitrile
PubChem CID103380284
Molecular FormulaC11H16N4S
Molecular Weight236.34 g/mol
Exact Mass236.11
IUPAC Name3-amino-5-[cyclopropyl(2-methylpropyl)amino]-1,2-thiazole-4-carbonitrile
SMILESCC(C)CN(c1snc(N)c1C#N)C1CC1
InChIInChI=1S/C11H16N4S/c1-7(2)6-15(8-3-4-8)11-9(5-12)10(13)14-16-11/h7-8H,3-4,6H2,1-2H3,(H2,13,14)
InChIKeyMVXLKIPAGZBQMG-UHFFFAOYSA-N
XLogP2.22
TPSA65.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-N-cyclopropyl-4-methyl-5-N-(2-methylpropyl)-1,2-thiazole-3,5-diamine
CID 103361295
3-amino-5-[cyclohexyl(methyl)amino]-1,2-thiazole-4-carbonitrile
CID 103381202
3-amino-5-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-1,2-thiazole-4-carbonitrile
CID 103379736
5-N-cyclopropyl-5-N-(2-methylpropyl)-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
CID 103361291
3-amino-5-[ethyl(1-methoxypropan-2-yl)amino]-1,2-thiazole-4-carbonitrile
CID 103379744
5-N-cyclopentyl-5-N-(3-methylbutyl)-4-methylsulfonyl-1,2-thiazole-3,5-diamine
CID 103383435
3-amino-5-[butan-2-yl(2-methoxyethyl)amino]-1,2-thiazole-4-carbonitrile
CID 103380560
3-amino-5-[ethyl(2,2,2-trifluoroethyl)amino]-1,2-thiazole-4-carbonitrile
CID 103379711
5-N-butyl-5-N-cyclopropyl-4-methyl-1,2-thiazole-3,5-diamine
CID 103360824
4-[cyclopropyl(2-methylpropyl)amino]-2,3-difluorobenzonitrile
CID 107933598
2-[cyclopropyl(2-methylpropyl)amino]-5-fluorobenzonitrile
CID 55232315
4-cyclopropyl-5-N-methyl-5-N-(3-methylbutyl)-1,2-thiazole-3,5-diamine
CID 103361797

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[cyclopropyl(2-methylpropyl)amino]-1,2-thiazole-4-carbonitrile?
The IUPAC name of 3-amino-5-[cyclopropyl(2-methylpropyl)amino]-1,2-thiazole-4-carbonitrile (CID 103380284) is 3-amino-5-[cyclopropyl(2-methylpropyl)amino]-1,2-thiazole-4-carbonitrile.
What is the SMILES notation for 3-amino-5-[cyclopropyl(2-methylpropyl)amino]-1,2-thiazole-4-carbonitrile?
The canonical SMILES for 3-amino-5-[cyclopropyl(2-methylpropyl)amino]-1,2-thiazole-4-carbonitrile is CC(C)CN(c1snc(N)c1C#N)C1CC1.
What is the InChIKey of 3-amino-5-[cyclopropyl(2-methylpropyl)amino]-1,2-thiazole-4-carbonitrile?
The InChIKey is MVXLKIPAGZBQMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4S/c1-7(2)6-15(8-3-4-8)11-9(5-12)10(13)14-16-11/h7-8H,3-4,6H2,1-2H3,(H2,13,14).
What are the key properties of 3-amino-5-[cyclopropyl(2-methylpropyl)amino]-1,2-thiazole-4-carbonitrile?
3-amino-5-[cyclopropyl(2-methylpropyl)amino]-1,2-thiazole-4-carbonitrile has a molecular weight of 236.34 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[cyclopropyl(2-methylpropyl)amino]-1,2-thiazole-4-carbonitrile is sourced from PubChem (CID 103380284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).