[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone

C16H23N5OS — CID 71973412

IUPAC[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
SMILESCC1(C)CN=C(N2CCN(C(=O)c3n[nH]c4c3CCC4)CC2)S1
InChIInChI=1S/C16H23N5OS/c1-16(2)10-17-15(23-16)21-8-6-20(7-9-21)14(22)13-11-4-3-5-12(11)18-19-13/h3-10H2,1-2H3,(H,18,19)
InChIKeyNTYGUOAAHKWDSP-UHFFFAOYSA-N
MW333.46 g/mol
LogP1.54
Rot. Bonds1

About [4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone

[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone (PubChem CID 71973412) has the molecular formula C16H23N5OS and a molecular weight of 333.46 g/mol. Its IUPAC name is [4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone.

Molecular Properties

Compound Name[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
PubChem CID71973412
Molecular FormulaC16H23N5OS
Molecular Weight333.46 g/mol
Exact Mass333.16
IUPAC Name[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
SMILESCC1(C)CN=C(N2CCN(C(=O)c3n[nH]c4c3CCC4)CC2)S1
InChIInChI=1S/C16H23N5OS/c1-16(2)10-17-15(23-16)21-8-6-20(7-9-21)14(22)13-11-4-3-5-12(11)18-19-13/h3-10H2,1-2H3,(H,18,19)
InChIKeyNTYGUOAAHKWDSP-UHFFFAOYSA-N
XLogP1.54
TPSA64.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone?
The IUPAC name of [4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone (CID 71973412) is [4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone.
What is the SMILES notation for [4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone?
The canonical SMILES for [4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone is CC1(C)CN=C(N2CCN(C(=O)c3n[nH]c4c3CCC4)CC2)S1.
What is the InChIKey of [4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone?
The InChIKey is NTYGUOAAHKWDSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5OS/c1-16(2)10-17-15(23-16)21-8-6-20(7-9-21)14(22)13-11-4-3-5-12(11)18-19-13/h3-10H2,1-2H3,(H,18,19).
What are the key properties of [4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone?
[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone has a molecular weight of 333.46 g/mol, XLogP of 1.54, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone is sourced from PubChem (CID 71973412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).