N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide

C15H20N4OS — CID 29124243

IUPACN-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESCc1nc(CC(=O)NCc2n[nH]c3c2CCCCC3)cs1
InChIInChI=1S/C15H20N4OS/c1-10-17-11(9-21-10)7-15(20)16-8-14-12-5-3-2-4-6-13(12)18-19-14/h9H,2-8H2,1H3,(H,16,20)(H,18,19)
InChIKeyKGBJIYOHOUCGHX-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.30
Rot. Bonds4

About N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide

N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide (PubChem CID 29124243) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
PubChem CID29124243
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC NameN-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESCc1nc(CC(=O)NCc2n[nH]c3c2CCCCC3)cs1
InChIInChI=1S/C15H20N4OS/c1-10-17-11(9-21-10)7-15(20)16-8-14-12-5-3-2-4-6-13(12)18-19-14/h9H,2-8H2,1H3,(H,16,20)(H,18,19)
InChIKeyKGBJIYOHOUCGHX-UHFFFAOYSA-N
XLogP2.30
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide (CID 29124243) is N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide is Cc1nc(CC(=O)NCc2n[nH]c3c2CCCCC3)cs1.
What is the InChIKey of N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The InChIKey is KGBJIYOHOUCGHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-10-17-11(9-21-10)7-15(20)16-8-14-12-5-3-2-4-6-13(12)18-19-14/h9H,2-8H2,1H3,(H,16,20)(H,18,19).
What are the key properties of N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide has a molecular weight of 304.42 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 29124243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).