5-chloro-2-[methyl-[1-(2-oxo-3H-1,3-thiazole-4-carbonyl)piperidin-3-yl]amino]-1,3-thiazole-4-carbonitrile

C14H14ClN5O2S2 — CID 138007203

IUPAC5-chloro-2-[methyl-[1-(2-oxo-3H-1,3-thiazole-4-carbonyl)piperidin-3-yl]amino]-1,3-thiazole-4-carbonitrile
SMILESCN(c1nc(C#N)c(Cl)s1)C1CCCN(C(=O)c2csc(=O)[nH]2)C1
InChIInChI=1S/C14H14ClN5O2S2/c1-19(13-17-9(5-16)11(15)24-13)8-3-2-4-20(6-8)12(21)10-7-23-14(22)18-10/h7-8H,2-4,6H2,1H3,(H,18,22)
InChIKeyHESPGONVCPRDNI-UHFFFAOYSA-N
MW383.89 g/mol
LogP2.16
Rot. Bonds3

About 5-chloro-2-[methyl-[1-(2-oxo-3H-1,3-thiazole-4-carbonyl)piperidin-3-yl]amino]-1,3-thiazole-4-carbonitrile

5-chloro-2-[methyl-[1-(2-oxo-3H-1,3-thiazole-4-carbonyl)piperidin-3-yl]amino]-1,3-thiazole-4-carbonitrile (PubChem CID 138007203) has the molecular formula C14H14ClN5O2S2 and a molecular weight of 383.89 g/mol. Its IUPAC name is 5-chloro-2-[methyl-[1-(2-oxo-3H-1,3-thiazole-4-carbonyl)piperidin-3-yl]amino]-1,3-thiazole-4-carbonitrile.

Molecular Properties

Compound Name5-chloro-2-[methyl-[1-(2-oxo-3H-1,3-thiazole-4-carbonyl)piperidin-3-yl]amino]-1,3-thiazole-4-carbonitrile
PubChem CID138007203
Molecular FormulaC14H14ClN5O2S2
Molecular Weight383.89 g/mol
Exact Mass383.03
IUPAC Name5-chloro-2-[methyl-[1-(2-oxo-3H-1,3-thiazole-4-carbonyl)piperidin-3-yl]amino]-1,3-thiazole-4-carbonitrile
SMILESCN(c1nc(C#N)c(Cl)s1)C1CCCN(C(=O)c2csc(=O)[nH]2)C1
InChIInChI=1S/C14H14ClN5O2S2/c1-19(13-17-9(5-16)11(15)24-13)8-3-2-4-20(6-8)12(21)10-7-23-14(22)18-10/h7-8H,2-4,6H2,1H3,(H,18,22)
InChIKeyHESPGONVCPRDNI-UHFFFAOYSA-N
XLogP2.16
TPSA93.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.89
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-chloro-2-[methyl-[1-(2-oxo-3H-1,3-thiazole-4-carbonyl)piperidin-3-yl]amino]-1,3-thiazole-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3-methylpyrrolidine-1-carbonyl)-3H-1,3-thiazol-2-one
CID 127895292
4-[3-[methyl-(5-methylpyrimidin-2-yl)amino]piperidine-1-carbonyl]benzonitrile
CID 155981841
4-[4-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-3H-1,3-thiazol-2-one
CID 166239971
ethyl 3-[1,3-benzothiazol-2-yl(methyl)amino]piperidine-1-carboxylate
CID 15725143
[3-(dimethylamino)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 141277119
1-[1-(6-chloro-5-cyanopyrazin-2-yl)piperidin-3-yl]-1,3,3-trimethylurea
CID 118114934
(3-hydroxypiperidin-1-yl)-[4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrol-2-yl]methanone
CID 43393894
[4-chloro-2-[methyl-(1-methylpiperidin-3-yl)amino]-1,3-thiazol-5-yl]methanol
CID 80692409
(4-chloro-3-pyridinyl)-[3-(dimethylamino)piperidin-1-yl]methanone
CID 81233181
(2-chloro-4-pyridinyl)-[3-(dimethylamino)piperidin-1-yl]methanone
CID 63091284
3-[(3S)-1-(5-chlorothiophene-2-carbonyl)piperidin-3-yl]oxypyrazine-2-carbonitrile
CID 100650696
ethyl 5-[3-(dimethylamino)piperidine-1-carbonyl]-1H-indole-2-carboxylate
CID 68680571

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[methyl-[1-(2-oxo-3H-1,3-thiazole-4-carbonyl)piperidin-3-yl]amino]-1,3-thiazole-4-carbonitrile?
The IUPAC name of 5-chloro-2-[methyl-[1-(2-oxo-3H-1,3-thiazole-4-carbonyl)piperidin-3-yl]amino]-1,3-thiazole-4-carbonitrile (CID 138007203) is 5-chloro-2-[methyl-[1-(2-oxo-3H-1,3-thiazole-4-carbonyl)piperidin-3-yl]amino]-1,3-thiazole-4-carbonitrile.
What is the SMILES notation for 5-chloro-2-[methyl-[1-(2-oxo-3H-1,3-thiazole-4-carbonyl)piperidin-3-yl]amino]-1,3-thiazole-4-carbonitrile?
The canonical SMILES for 5-chloro-2-[methyl-[1-(2-oxo-3H-1,3-thiazole-4-carbonyl)piperidin-3-yl]amino]-1,3-thiazole-4-carbonitrile is CN(c1nc(C#N)c(Cl)s1)C1CCCN(C(=O)c2csc(=O)[nH]2)C1.
What is the InChIKey of 5-chloro-2-[methyl-[1-(2-oxo-3H-1,3-thiazole-4-carbonyl)piperidin-3-yl]amino]-1,3-thiazole-4-carbonitrile?
The InChIKey is HESPGONVCPRDNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN5O2S2/c1-19(13-17-9(5-16)11(15)24-13)8-3-2-4-20(6-8)12(21)10-7-23-14(22)18-10/h7-8H,2-4,6H2,1H3,(H,18,22).
What are the key properties of 5-chloro-2-[methyl-[1-(2-oxo-3H-1,3-thiazole-4-carbonyl)piperidin-3-yl]amino]-1,3-thiazole-4-carbonitrile?
5-chloro-2-[methyl-[1-(2-oxo-3H-1,3-thiazole-4-carbonyl)piperidin-3-yl]amino]-1,3-thiazole-4-carbonitrile has a molecular weight of 383.89 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[methyl-[1-(2-oxo-3H-1,3-thiazole-4-carbonyl)piperidin-3-yl]amino]-1,3-thiazole-4-carbonitrile is sourced from PubChem (CID 138007203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).