N-methyl-3-(4-methyl-1,3-thiazol-5-yl)-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)propanamide

C15H20N4OS — CID 70768411

IUPACN-methyl-3-(4-methyl-1,3-thiazol-5-yl)-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)propanamide
SMILESCc1ncsc1CCC(=O)N(C)Cc1n[nH]c2c1CCC2
InChIInChI=1S/C15H20N4OS/c1-10-14(21-9-16-10)6-7-15(20)19(2)8-13-11-4-3-5-12(11)17-18-13/h9H,3-8H2,1-2H3,(H,17,18)
InChIKeyBANAQWYSYNLCKL-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.25
Rot. Bonds5

About N-methyl-3-(4-methyl-1,3-thiazol-5-yl)-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)propanamide

N-methyl-3-(4-methyl-1,3-thiazol-5-yl)-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)propanamide (PubChem CID 70768411) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is N-methyl-3-(4-methyl-1,3-thiazol-5-yl)-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)propanamide.

Molecular Properties

Compound NameN-methyl-3-(4-methyl-1,3-thiazol-5-yl)-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)propanamide
PubChem CID70768411
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC NameN-methyl-3-(4-methyl-1,3-thiazol-5-yl)-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)propanamide
SMILESCc1ncsc1CCC(=O)N(C)Cc1n[nH]c2c1CCC2
InChIInChI=1S/C15H20N4OS/c1-10-14(21-9-16-10)6-7-15(20)19(2)8-13-11-4-3-5-12(11)17-18-13/h9H,3-8H2,1-2H3,(H,17,18)
InChIKeyBANAQWYSYNLCKL-UHFFFAOYSA-N
XLogP2.25
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(4-methyl-1,3-thiazol-5-yl)-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)propanamide?
The IUPAC name of N-methyl-3-(4-methyl-1,3-thiazol-5-yl)-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)propanamide (CID 70768411) is N-methyl-3-(4-methyl-1,3-thiazol-5-yl)-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)propanamide.
What is the SMILES notation for N-methyl-3-(4-methyl-1,3-thiazol-5-yl)-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)propanamide?
The canonical SMILES for N-methyl-3-(4-methyl-1,3-thiazol-5-yl)-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)propanamide is Cc1ncsc1CCC(=O)N(C)Cc1n[nH]c2c1CCC2.
What is the InChIKey of N-methyl-3-(4-methyl-1,3-thiazol-5-yl)-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)propanamide?
The InChIKey is BANAQWYSYNLCKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-10-14(21-9-16-10)6-7-15(20)19(2)8-13-11-4-3-5-12(11)17-18-13/h9H,3-8H2,1-2H3,(H,17,18).
What are the key properties of N-methyl-3-(4-methyl-1,3-thiazol-5-yl)-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)propanamide?
N-methyl-3-(4-methyl-1,3-thiazol-5-yl)-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)propanamide has a molecular weight of 304.42 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(4-methyl-1,3-thiazol-5-yl)-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)propanamide is sourced from PubChem (CID 70768411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).