[1-[(4-chlorophenyl)methyl]-3-methylthieno[3,2-d]pyrazol-5-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone

C21H20ClN5OS2 — CID 43040229

IUPAC[1-[(4-chlorophenyl)methyl]-3-methylthieno[3,2-d]pyrazol-5-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
SMILESCc1nn(Cc2ccc(Cl)cc2)c2sc(C(=O)N3CCN(c4nccs4)CC3)cc12
InChIInChI=1S/C21H20ClN5OS2/c1-14-17-12-18(19(28)25-7-9-26(10-8-25)21-23-6-11-29-21)30-20(17)27(24-14)13-15-2-4-16(22)5-3-15/h2-6,11-12H,7-10,13H2,1H3
InChIKeyJMSYUQLONLJZLY-UHFFFAOYSA-N
MW458.01 g/mol
LogP4.53
Rot. Bonds4

About [1-[(4-chlorophenyl)methyl]-3-methylthieno[3,2-d]pyrazol-5-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone

[1-[(4-chlorophenyl)methyl]-3-methylthieno[3,2-d]pyrazol-5-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone (PubChem CID 43040229) has the molecular formula C21H20ClN5OS2 and a molecular weight of 458.01 g/mol. Its IUPAC name is [1-[(4-chlorophenyl)methyl]-3-methylthieno[3,2-d]pyrazol-5-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[1-[(4-chlorophenyl)methyl]-3-methylthieno[3,2-d]pyrazol-5-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
PubChem CID43040229
Molecular FormulaC21H20ClN5OS2
Molecular Weight458.01 g/mol
Exact Mass457.08
IUPAC Name[1-[(4-chlorophenyl)methyl]-3-methylthieno[3,2-d]pyrazol-5-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
SMILESCc1nn(Cc2ccc(Cl)cc2)c2sc(C(=O)N3CCN(c4nccs4)CC3)cc12
InChIInChI=1S/C21H20ClN5OS2/c1-14-17-12-18(19(28)25-7-9-26(10-8-25)21-23-6-11-29-21)30-20(17)27(24-14)13-15-2-4-16(22)5-3-15/h2-6,11-12H,7-10,13H2,1H3
InChIKeyJMSYUQLONLJZLY-UHFFFAOYSA-N
XLogP4.53
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.01
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[1-[(4-chlorophenyl)methyl]-3-methylthieno[3,2-d]pyrazol-5-yl]-pyrrolidin-1-ylmethanone
CID 27670273
1-[(4-chlorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxylic acid
CID 4985598
1-[(4-chlorophenyl)methyl]-3-methyl-N-(1,3-thiazol-2-yl)thieno[3,2-d]pyrazole-5-carboxamide
CID 8762600
[1-[(2,4-dichlorophenyl)methyl]-3-methylthieno[3,2-d]pyrazol-5-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 27647450
1-[1-[(4-chlorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carbonyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 55670424
[1-[(4-chlorophenyl)methyl]-3-methylthieno[3,2-d]pyrazol-5-yl]-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 25296363
azetidin-1-yl-[1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazol-5-yl]methanone
CID 17423880
azocan-1-yl-(1-benzyl-3-methylthieno[3,2-d]pyrazol-5-yl)methanone
CID 8502494
[1-(4-chlorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 2017715
methyl 1-[1-[(4-chlorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carbonyl]pyrrolidine-2-carboxylate
CID 112809189
[1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazol-5-yl]-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 46656222
1-(1-benzyl-3-methylthieno[3,2-d]pyrazole-5-carbonyl)-4-hydroxypiperidine-4-carboxylic acid
CID 120528241

Frequently Asked Questions

What is the IUPAC name of [1-[(4-chlorophenyl)methyl]-3-methylthieno[3,2-d]pyrazol-5-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The IUPAC name of [1-[(4-chlorophenyl)methyl]-3-methylthieno[3,2-d]pyrazol-5-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone (CID 43040229) is [1-[(4-chlorophenyl)methyl]-3-methylthieno[3,2-d]pyrazol-5-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone.
What is the SMILES notation for [1-[(4-chlorophenyl)methyl]-3-methylthieno[3,2-d]pyrazol-5-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The canonical SMILES for [1-[(4-chlorophenyl)methyl]-3-methylthieno[3,2-d]pyrazol-5-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone is Cc1nn(Cc2ccc(Cl)cc2)c2sc(C(=O)N3CCN(c4nccs4)CC3)cc12.
What is the InChIKey of [1-[(4-chlorophenyl)methyl]-3-methylthieno[3,2-d]pyrazol-5-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The InChIKey is JMSYUQLONLJZLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN5OS2/c1-14-17-12-18(19(28)25-7-9-26(10-8-25)21-23-6-11-29-21)30-20(17)27(24-14)13-15-2-4-16(22)5-3-15/h2-6,11-12H,7-10,13H2,1H3.
What are the key properties of [1-[(4-chlorophenyl)methyl]-3-methylthieno[3,2-d]pyrazol-5-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone?
[1-[(4-chlorophenyl)methyl]-3-methylthieno[3,2-d]pyrazol-5-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone has a molecular weight of 458.01 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-chlorophenyl)methyl]-3-methylthieno[3,2-d]pyrazol-5-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 43040229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).