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

C14H18N4OS — CID 50978880

IUPACN-methyl-2-(2-methyl-1,3-thiazol-4-yl)-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)acetamide
SMILESCc1nc(CC(=O)N(C)Cc2n[nH]c3c2CCC3)cs1
InChIInChI=1S/C14H18N4OS/c1-9-15-10(8-20-9)6-14(19)18(2)7-13-11-4-3-5-12(11)16-17-13/h8H,3-7H2,1-2H3,(H,16,17)
InChIKeyGJQWUFSLYAPLTG-UHFFFAOYSA-N
MW290.39 g/mol
LogP1.86
Rot. Bonds4

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

N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)acetamide (PubChem CID 50978880) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)acetamide.

Molecular Properties

Compound NameN-methyl-2-(2-methyl-1,3-thiazol-4-yl)-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)acetamide
PubChem CID50978880
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC NameN-methyl-2-(2-methyl-1,3-thiazol-4-yl)-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)acetamide
SMILESCc1nc(CC(=O)N(C)Cc2n[nH]c3c2CCC3)cs1
InChIInChI=1S/C14H18N4OS/c1-9-15-10(8-20-9)6-14(19)18(2)7-13-11-4-3-5-12(11)16-17-13/h8H,3-7H2,1-2H3,(H,16,17)
InChIKeyGJQWUFSLYAPLTG-UHFFFAOYSA-N
XLogP1.86
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)acetamide?
The IUPAC name of N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)acetamide (CID 50978880) is N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)acetamide.
What is the SMILES notation for N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)acetamide?
The canonical SMILES for N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)acetamide is Cc1nc(CC(=O)N(C)Cc2n[nH]c3c2CCC3)cs1.
What is the InChIKey of N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)acetamide?
The InChIKey is GJQWUFSLYAPLTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-9-15-10(8-20-9)6-14(19)18(2)7-13-11-4-3-5-12(11)16-17-13/h8H,3-7H2,1-2H3,(H,16,17).
What are the key properties of N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)acetamide?
N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)acetamide has a molecular weight of 290.39 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)acetamide is sourced from PubChem (CID 50978880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).