3-amino-5-[ethyl(1-methoxypropan-2-yl)amino]-1,2-thiazole-4-carbonitrile

C10H16N4OS — CID 103379744

IUPAC3-amino-5-[ethyl(1-methoxypropan-2-yl)amino]-1,2-thiazole-4-carbonitrile
SMILESCCN(c1snc(N)c1C#N)C(C)COC
InChIInChI=1S/C10H16N4OS/c1-4-14(7(2)6-15-3)10-8(5-11)9(12)13-16-10/h7H,4,6H2,1-3H3,(H2,12,13)
InChIKeyFUNPAWXLBBUNBA-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.46
Rot. Bonds5

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

3-amino-5-[ethyl(1-methoxypropan-2-yl)amino]-1,2-thiazole-4-carbonitrile (PubChem CID 103379744) has the molecular formula C10H16N4OS and a molecular weight of 240.33 g/mol. Its IUPAC name is 3-amino-5-[ethyl(1-methoxypropan-2-yl)amino]-1,2-thiazole-4-carbonitrile.

Molecular Properties

Compound Name3-amino-5-[ethyl(1-methoxypropan-2-yl)amino]-1,2-thiazole-4-carbonitrile
PubChem CID103379744
Molecular FormulaC10H16N4OS
Molecular Weight240.33 g/mol
Exact Mass240.10
IUPAC Name3-amino-5-[ethyl(1-methoxypropan-2-yl)amino]-1,2-thiazole-4-carbonitrile
SMILESCCN(c1snc(N)c1C#N)C(C)COC
InChIInChI=1S/C10H16N4OS/c1-4-14(7(2)6-15-3)10-8(5-11)9(12)13-16-10/h7H,4,6H2,1-3H3,(H2,12,13)
InChIKeyFUNPAWXLBBUNBA-UHFFFAOYSA-N
XLogP1.46
TPSA75.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[ethyl(1-methoxypropan-2-yl)amino]-1,2-thiazole-4-carbonitrile?
The IUPAC name of 3-amino-5-[ethyl(1-methoxypropan-2-yl)amino]-1,2-thiazole-4-carbonitrile (CID 103379744) is 3-amino-5-[ethyl(1-methoxypropan-2-yl)amino]-1,2-thiazole-4-carbonitrile.
What is the SMILES notation for 3-amino-5-[ethyl(1-methoxypropan-2-yl)amino]-1,2-thiazole-4-carbonitrile?
The canonical SMILES for 3-amino-5-[ethyl(1-methoxypropan-2-yl)amino]-1,2-thiazole-4-carbonitrile is CCN(c1snc(N)c1C#N)C(C)COC.
What is the InChIKey of 3-amino-5-[ethyl(1-methoxypropan-2-yl)amino]-1,2-thiazole-4-carbonitrile?
The InChIKey is FUNPAWXLBBUNBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4OS/c1-4-14(7(2)6-15-3)10-8(5-11)9(12)13-16-10/h7H,4,6H2,1-3H3,(H2,12,13).
What are the key properties of 3-amino-5-[ethyl(1-methoxypropan-2-yl)amino]-1,2-thiazole-4-carbonitrile?
3-amino-5-[ethyl(1-methoxypropan-2-yl)amino]-1,2-thiazole-4-carbonitrile has a molecular weight of 240.33 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[ethyl(1-methoxypropan-2-yl)amino]-1,2-thiazole-4-carbonitrile is sourced from PubChem (CID 103379744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).