2-[(2R)-4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-methylpiperazin-1-yl]-1,3-thiazole

C14H20ClN5S — CID 97199197

IUPAC2-[(2R)-4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-methylpiperazin-1-yl]-1,3-thiazole
SMILESCc1nn(C)c(Cl)c1CN1CCN(c2nccs2)[C@H](C)C1
InChIInChI=1S/C14H20ClN5S/c1-10-8-19(5-6-20(10)14-16-4-7-21-14)9-12-11(2)17-18(3)13(12)15/h4,7,10H,5-6,8-9H2,1-3H3/t10-/m1/s1
InChIKeyCASLRFTYIXAPBN-SNVBAGLBSA-N
MW325.87 g/mol
LogP2.55
Rot. Bonds3

About 2-[(2R)-4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-methylpiperazin-1-yl]-1,3-thiazole

2-[(2R)-4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-methylpiperazin-1-yl]-1,3-thiazole (PubChem CID 97199197) has the molecular formula C14H20ClN5S and a molecular weight of 325.87 g/mol. Its IUPAC name is 2-[(2R)-4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-methylpiperazin-1-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[(2R)-4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-methylpiperazin-1-yl]-1,3-thiazole
PubChem CID97199197
Molecular FormulaC14H20ClN5S
Molecular Weight325.87 g/mol
Exact Mass325.11
IUPAC Name2-[(2R)-4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-methylpiperazin-1-yl]-1,3-thiazole
SMILESCc1nn(C)c(Cl)c1CN1CCN(c2nccs2)[C@H](C)C1
InChIInChI=1S/C14H20ClN5S/c1-10-8-19(5-6-20(10)14-16-4-7-21-14)9-12-11(2)17-18(3)13(12)15/h4,7,10H,5-6,8-9H2,1-3H3/t10-/m1/s1
InChIKeyCASLRFTYIXAPBN-SNVBAGLBSA-N
XLogP2.55
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.87
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[(2R)-4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-methylpiperazin-1-yl]-1,3-thiazole 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

5-chloro-1,3-dimethyl-4-[(3-methylpyrrolidin-1-yl)methyl]pyrazole
CID 61224422
3-[(3R)-3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]propane-1-sulfonamide
CID 97186451
2-[4-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-2-methylpiperazin-1-yl]-1,3-thiazole
CID 75369822
4-chloro-1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-methylpiperidine
CID 114682232
4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-ethyl-1-methylpiperazine
CID 63609341
1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-methyl-1,4-diazepane
CID 54918224
(2S)-1-(4-methylpiperidin-1-yl)-3-[(3R)-3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-ol
CID 97199173
2-[(2S)-2-methyl-4-[2-[(R)-phenylsulfinyl]ethyl]piperazin-1-yl]-1,3-thiazole
CID 97094600
5-chloro-4-[(3-ethylpyrrolidin-1-yl)methyl]-1,3-dimethylpyrazole
CID 115688533
2-[(2R)-4-[(4-fluoro-1H-benzimidazol-2-yl)methyl]-2-methylpiperazin-1-yl]-1,3-thiazole
CID 97094603
1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-[(3-methyl-2-pyridinyl)methyl]piperazine
CID 50948331
[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-methylpiperidin-3-yl]methanamine
CID 114961330

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-methylpiperazin-1-yl]-1,3-thiazole?
The IUPAC name of 2-[(2R)-4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-methylpiperazin-1-yl]-1,3-thiazole (CID 97199197) is 2-[(2R)-4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-methylpiperazin-1-yl]-1,3-thiazole.
What is the SMILES notation for 2-[(2R)-4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-methylpiperazin-1-yl]-1,3-thiazole?
The canonical SMILES for 2-[(2R)-4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-methylpiperazin-1-yl]-1,3-thiazole is Cc1nn(C)c(Cl)c1CN1CCN(c2nccs2)[C@H](C)C1.
What is the InChIKey of 2-[(2R)-4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-methylpiperazin-1-yl]-1,3-thiazole?
The InChIKey is CASLRFTYIXAPBN-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H20ClN5S/c1-10-8-19(5-6-20(10)14-16-4-7-21-14)9-12-11(2)17-18(3)13(12)15/h4,7,10H,5-6,8-9H2,1-3H3/t10-/m1/s1.
What are the key properties of 2-[(2R)-4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-methylpiperazin-1-yl]-1,3-thiazole?
2-[(2R)-4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-methylpiperazin-1-yl]-1,3-thiazole has a molecular weight of 325.87 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-methylpiperazin-1-yl]-1,3-thiazole is sourced from PubChem (CID 97199197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).