5-(2,2-dimethylpropylamino)-3-methyl-1,2-thiazole-4-carbonitrile

C10H15N3S — CID 79375791

IUPAC5-(2,2-dimethylpropylamino)-3-methyl-1,2-thiazole-4-carbonitrile
SMILESCc1nsc(NCC(C)(C)C)c1C#N
InChIInChI=1S/C10H15N3S/c1-7-8(5-11)9(14-13-7)12-6-10(2,3)4/h12H,6H2,1-4H3
InChIKeyHVRQTPRMWPMSMA-UHFFFAOYSA-N
MW209.32 g/mol
LogP2.78
Rot. Bonds2

About 5-(2,2-dimethylpropylamino)-3-methyl-1,2-thiazole-4-carbonitrile

5-(2,2-dimethylpropylamino)-3-methyl-1,2-thiazole-4-carbonitrile (PubChem CID 79375791) has the molecular formula C10H15N3S and a molecular weight of 209.32 g/mol. Its IUPAC name is 5-(2,2-dimethylpropylamino)-3-methyl-1,2-thiazole-4-carbonitrile.

Molecular Properties

Compound Name5-(2,2-dimethylpropylamino)-3-methyl-1,2-thiazole-4-carbonitrile
PubChem CID79375791
Molecular FormulaC10H15N3S
Molecular Weight209.32 g/mol
Exact Mass209.10
IUPAC Name5-(2,2-dimethylpropylamino)-3-methyl-1,2-thiazole-4-carbonitrile
SMILESCc1nsc(NCC(C)(C)C)c1C#N
InChIInChI=1S/C10H15N3S/c1-7-8(5-11)9(14-13-7)12-6-10(2,3)4/h12H,6H2,1-4H3
InChIKeyHVRQTPRMWPMSMA-UHFFFAOYSA-N
XLogP2.78
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.32
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2-hydroxy-2-methylpropyl)amino]-3-methyl-1,2-thiazole-4-carbonitrile
CID 130964806
3-methyl-5-(4,4,4-trifluorobutylamino)-1,2-thiazole-4-carbonitrile
CID 115522986
5-(2-methoxypropylamino)-3-methyl-1,2-thiazole-4-carbonitrile
CID 102701722
3-methyl-5-(5-methylhexylamino)-1,2-thiazole-4-carbonitrile
CID 115327250
N-(4-cyano-3-methyl-1,2-thiazol-5-yl)formamide
CID 138481254
3-methyl-5-(1,2-oxazol-3-ylmethylamino)-1,2-thiazole-4-carbonitrile
CID 81173430
3-methyl-5-(3-pyrrolidin-1-ylpropylamino)-1,2-thiazole-4-carbonitrile
CID 79375135
3-methyl-5-(2-thiophen-2-ylethylamino)-1,2-thiazole-4-carbonitrile
CID 79375455
3-methyl-5-[(2-methylpyrimidin-4-yl)methylamino]-1,2-thiazole-4-carbonitrile
CID 79375794
5-[(3-cyanophenyl)methylamino]-3-methyl-1,2-thiazole-4-carbonitrile
CID 79375380
5-(1-adamantylamino)-3-methyl-1,2-thiazole-4-carbonitrile
CID 79375448
3-methyl-5-(2-pyridin-2-ylethylamino)-1,2-thiazole-4-carbonitrile
CID 79376309

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylpropylamino)-3-methyl-1,2-thiazole-4-carbonitrile?
The IUPAC name of 5-(2,2-dimethylpropylamino)-3-methyl-1,2-thiazole-4-carbonitrile (CID 79375791) is 5-(2,2-dimethylpropylamino)-3-methyl-1,2-thiazole-4-carbonitrile.
What is the SMILES notation for 5-(2,2-dimethylpropylamino)-3-methyl-1,2-thiazole-4-carbonitrile?
The canonical SMILES for 5-(2,2-dimethylpropylamino)-3-methyl-1,2-thiazole-4-carbonitrile is Cc1nsc(NCC(C)(C)C)c1C#N.
What is the InChIKey of 5-(2,2-dimethylpropylamino)-3-methyl-1,2-thiazole-4-carbonitrile?
The InChIKey is HVRQTPRMWPMSMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3S/c1-7-8(5-11)9(14-13-7)12-6-10(2,3)4/h12H,6H2,1-4H3.
What are the key properties of 5-(2,2-dimethylpropylamino)-3-methyl-1,2-thiazole-4-carbonitrile?
5-(2,2-dimethylpropylamino)-3-methyl-1,2-thiazole-4-carbonitrile has a molecular weight of 209.32 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylpropylamino)-3-methyl-1,2-thiazole-4-carbonitrile is sourced from PubChem (CID 79375791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).