N-(furan-2-ylmethyl)-4-methyl-N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]thiadiazole-5-carboxamide

C17H19N5O2S — CID 86266528

IUPACN-(furan-2-ylmethyl)-4-methyl-N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]thiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)N(Cc1ccco1)Cc1nn(C)c2c1CCC2
InChIInChI=1S/C17H19N5O2S/c1-11-16(25-20-18-11)17(23)22(9-12-5-4-8-24-12)10-14-13-6-3-7-15(13)21(2)19-14/h4-5,8H,3,6-7,9-10H2,1-2H3
InChIKeyMURSZCNIKJZBBH-UHFFFAOYSA-N
MW357.44 g/mol
LogP2.50
Rot. Bonds5

About N-(furan-2-ylmethyl)-4-methyl-N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]thiadiazole-5-carboxamide

N-(furan-2-ylmethyl)-4-methyl-N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]thiadiazole-5-carboxamide (PubChem CID 86266528) has the molecular formula C17H19N5O2S and a molecular weight of 357.44 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-4-methyl-N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]thiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-4-methyl-N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]thiadiazole-5-carboxamide
PubChem CID86266528
Molecular FormulaC17H19N5O2S
Molecular Weight357.44 g/mol
Exact Mass357.13
IUPAC NameN-(furan-2-ylmethyl)-4-methyl-N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]thiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)N(Cc1ccco1)Cc1nn(C)c2c1CCC2
InChIInChI=1S/C17H19N5O2S/c1-11-16(25-20-18-11)17(23)22(9-12-5-4-8-24-12)10-14-13-6-3-7-15(13)21(2)19-14/h4-5,8H,3,6-7,9-10H2,1-2H3
InChIKeyMURSZCNIKJZBBH-UHFFFAOYSA-N
XLogP2.50
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-4-methyl-N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]thiadiazole-5-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-4-methyl-N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]thiadiazole-5-carboxamide (CID 86266528) is N-(furan-2-ylmethyl)-4-methyl-N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]thiadiazole-5-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-4-methyl-N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]thiadiazole-5-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-4-methyl-N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]thiadiazole-5-carboxamide is Cc1nnsc1C(=O)N(Cc1ccco1)Cc1nn(C)c2c1CCC2.
What is the InChIKey of N-(furan-2-ylmethyl)-4-methyl-N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]thiadiazole-5-carboxamide?
The InChIKey is MURSZCNIKJZBBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2S/c1-11-16(25-20-18-11)17(23)22(9-12-5-4-8-24-12)10-14-13-6-3-7-15(13)21(2)19-14/h4-5,8H,3,6-7,9-10H2,1-2H3.
What are the key properties of N-(furan-2-ylmethyl)-4-methyl-N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]thiadiazole-5-carboxamide?
N-(furan-2-ylmethyl)-4-methyl-N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]thiadiazole-5-carboxamide has a molecular weight of 357.44 g/mol, XLogP of 2.50, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-4-methyl-N-[(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]thiadiazole-5-carboxamide is sourced from PubChem (CID 86266528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).