3-methyl-5-(1-thiophen-2-ylpropan-2-ylamino)-1,2-thiazole-4-carbonitrile

C12H13N3S2 — CID 79375384

IUPAC3-methyl-5-(1-thiophen-2-ylpropan-2-ylamino)-1,2-thiazole-4-carbonitrile
SMILESCc1nsc(NC(C)Cc2cccs2)c1C#N
InChIInChI=1S/C12H13N3S2/c1-8(6-10-4-3-5-16-10)14-12-11(7-13)9(2)15-17-12/h3-5,8,14H,6H2,1-2H3
InChIKeyQDPYQTSJKZUTPP-UHFFFAOYSA-N
MW263.39 g/mol
LogP3.43
Rot. Bonds4

About 3-methyl-5-(1-thiophen-2-ylpropan-2-ylamino)-1,2-thiazole-4-carbonitrile

3-methyl-5-(1-thiophen-2-ylpropan-2-ylamino)-1,2-thiazole-4-carbonitrile (PubChem CID 79375384) has the molecular formula C12H13N3S2 and a molecular weight of 263.39 g/mol. Its IUPAC name is 3-methyl-5-(1-thiophen-2-ylpropan-2-ylamino)-1,2-thiazole-4-carbonitrile.

Molecular Properties

Compound Name3-methyl-5-(1-thiophen-2-ylpropan-2-ylamino)-1,2-thiazole-4-carbonitrile
PubChem CID79375384
Molecular FormulaC12H13N3S2
Molecular Weight263.39 g/mol
Exact Mass263.06
IUPAC Name3-methyl-5-(1-thiophen-2-ylpropan-2-ylamino)-1,2-thiazole-4-carbonitrile
SMILESCc1nsc(NC(C)Cc2cccs2)c1C#N
InChIInChI=1S/C12H13N3S2/c1-8(6-10-4-3-5-16-10)14-12-11(7-13)9(2)15-17-12/h3-5,8,14H,6H2,1-2H3
InChIKeyQDPYQTSJKZUTPP-UHFFFAOYSA-N
XLogP3.43
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.39
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-5-[1-(5-methylthiophen-2-yl)propan-2-ylamino]-1,2-thiazole-4-carbonitrile
CID 79375802
3-methyl-5-(2-thiophen-2-ylethylamino)-1,2-thiazole-4-carbonitrile
CID 79375455
N-(1-thiophen-2-ylpropan-2-yl)pyridin-4-amine
CID 63292001
5-amino-2-(1-thiophen-2-ylpropan-2-ylamino)benzonitrile
CID 55170409
N-propan-2-yl-1-thiophen-2-ylpropan-2-amine
CID 15162973
2-methyl-N-(1-thiophen-2-ylpropan-2-yl)quinolin-4-amine
CID 63540902
5-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyridin-3-amine
CID 115922260
2,6-dimethyl-4-(1-thiophen-2-ylpropan-2-ylamino)pyridine-3-carboxylic acid
CID 81053770
4-methyl-1-propan-2-yl-N-(1-thiophen-2-ylpropan-2-yl)imidazol-2-amine
CID 106573480
6-fluoro-N-(1-thiophen-2-ylpropan-2-yl)pyridin-2-amine
CID 61397753
3-methyl-5-(2-methylsulfanylanilino)-1,2-thiazole-4-carbonitrile
CID 107646947
4,6-dimethoxy-N-(1-thiophen-2-ylpropan-2-yl)-1,3,5-triazin-2-amine
CID 63291908

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(1-thiophen-2-ylpropan-2-ylamino)-1,2-thiazole-4-carbonitrile?
The IUPAC name of 3-methyl-5-(1-thiophen-2-ylpropan-2-ylamino)-1,2-thiazole-4-carbonitrile (CID 79375384) is 3-methyl-5-(1-thiophen-2-ylpropan-2-ylamino)-1,2-thiazole-4-carbonitrile.
What is the SMILES notation for 3-methyl-5-(1-thiophen-2-ylpropan-2-ylamino)-1,2-thiazole-4-carbonitrile?
The canonical SMILES for 3-methyl-5-(1-thiophen-2-ylpropan-2-ylamino)-1,2-thiazole-4-carbonitrile is Cc1nsc(NC(C)Cc2cccs2)c1C#N.
What is the InChIKey of 3-methyl-5-(1-thiophen-2-ylpropan-2-ylamino)-1,2-thiazole-4-carbonitrile?
The InChIKey is QDPYQTSJKZUTPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3S2/c1-8(6-10-4-3-5-16-10)14-12-11(7-13)9(2)15-17-12/h3-5,8,14H,6H2,1-2H3.
What are the key properties of 3-methyl-5-(1-thiophen-2-ylpropan-2-ylamino)-1,2-thiazole-4-carbonitrile?
3-methyl-5-(1-thiophen-2-ylpropan-2-ylamino)-1,2-thiazole-4-carbonitrile has a molecular weight of 263.39 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(1-thiophen-2-ylpropan-2-ylamino)-1,2-thiazole-4-carbonitrile is sourced from PubChem (CID 79375384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).