4-chloro-2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-1,3-thiazole-5-carbonitrile

C12H19ClN4S — CID 106595407

IUPAC4-chloro-2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-1,3-thiazole-5-carbonitrile
SMILESCC(C)CC(CN(C)C)Nc1nc(Cl)c(C#N)s1
InChIInChI=1S/C12H19ClN4S/c1-8(2)5-9(7-17(3)4)15-12-16-11(13)10(6-14)18-12/h8-9H,5,7H2,1-4H3,(H,15,16)
InChIKeyDCUSUAQMHHYDFB-UHFFFAOYSA-N
MW286.83 g/mol
LogP3.06
Rot. Bonds6

About 4-chloro-2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-1,3-thiazole-5-carbonitrile

4-chloro-2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-1,3-thiazole-5-carbonitrile (PubChem CID 106595407) has the molecular formula C12H19ClN4S and a molecular weight of 286.83 g/mol. Its IUPAC name is 4-chloro-2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-1,3-thiazole-5-carbonitrile.

Molecular Properties

Compound Name4-chloro-2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-1,3-thiazole-5-carbonitrile
PubChem CID106595407
Molecular FormulaC12H19ClN4S
Molecular Weight286.83 g/mol
Exact Mass286.10
IUPAC Name4-chloro-2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-1,3-thiazole-5-carbonitrile
SMILESCC(C)CC(CN(C)C)Nc1nc(Cl)c(C#N)s1
InChIInChI=1S/C12H19ClN4S/c1-8(2)5-9(7-17(3)4)15-12-16-11(13)10(6-14)18-12/h8-9H,5,7H2,1-4H3,(H,15,16)
InChIKeyDCUSUAQMHHYDFB-UHFFFAOYSA-N
XLogP3.06
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.83
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(butan-2-ylamino)-4-chloro-1,3-thiazole-5-carbonitrile
CID 106594979
methyl 2-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]-4-methylpentanoate
CID 106595421
2-[(1-amino-3-methylbutan-2-yl)amino]-4-chloro-1,3-thiazole-5-carbonitrile
CID 106596046
4-chloro-2-(2-cyanopropylamino)-1,3-thiazole-5-carbonitrile
CID 130662565
4-chloro-2-(ethylamino)-1,3-thiazole-5-carbonitrile
CID 106595002
4-chloro-2-[[2-methyl-3-(methylamino)propyl]amino]-1,3-thiazole-5-carbonitrile
CID 106596127
2-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]-N-(2-methylpropyl)acetamide
CID 106595759
2-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]-3-methylbutanamide
CID 107257888
4-chloro-2-(1-pyridin-4-ylethylamino)-1,3-thiazole-5-carbonitrile
CID 106595169
4-chloro-2-(2-methylbutan-2-ylamino)-1,3-thiazole-5-carbonitrile
CID 106595806
4-chloro-2-[[1-(2-methylpropyl)cyclopentyl]methylamino]-1,3-thiazole-5-carbonitrile
CID 106595689
4-chloro-2-[[(2R)-4-phenylbutan-2-yl]amino]-1,3-thiazole-5-carbonitrile
CID 7100783

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-1,3-thiazole-5-carbonitrile?
The IUPAC name of 4-chloro-2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-1,3-thiazole-5-carbonitrile (CID 106595407) is 4-chloro-2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-1,3-thiazole-5-carbonitrile.
What is the SMILES notation for 4-chloro-2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-1,3-thiazole-5-carbonitrile?
The canonical SMILES for 4-chloro-2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-1,3-thiazole-5-carbonitrile is CC(C)CC(CN(C)C)Nc1nc(Cl)c(C#N)s1.
What is the InChIKey of 4-chloro-2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-1,3-thiazole-5-carbonitrile?
The InChIKey is DCUSUAQMHHYDFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4S/c1-8(2)5-9(7-17(3)4)15-12-16-11(13)10(6-14)18-12/h8-9H,5,7H2,1-4H3,(H,15,16).
What are the key properties of 4-chloro-2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-1,3-thiazole-5-carbonitrile?
4-chloro-2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-1,3-thiazole-5-carbonitrile has a molecular weight of 286.83 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 106595407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).