N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

C14H19N5OS — CID 33039441

IUPACN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1CCC(=O)Nc1nnc(C2CC2)s1
InChIInChI=1S/C14H19N5OS/c1-8-11(9(2)19(3)18-8)6-7-12(20)15-14-17-16-13(21-14)10-4-5-10/h10H,4-7H2,1-3H3,(H,15,17,20)
InChIKeyJSSRPTNGYIOGKD-UHFFFAOYSA-N
MW305.41 g/mol
LogP2.34
Rot. Bonds5

About N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (PubChem CID 33039441) has the molecular formula C14H19N5OS and a molecular weight of 305.41 g/mol. Its IUPAC name is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
PubChem CID33039441
Molecular FormulaC14H19N5OS
Molecular Weight305.41 g/mol
Exact Mass305.13
IUPAC NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1CCC(=O)Nc1nnc(C2CC2)s1
InChIInChI=1S/C14H19N5OS/c1-8-11(9(2)19(3)18-8)6-7-12(20)15-14-17-16-13(21-14)10-4-5-10/h10H,4-7H2,1-3H3,(H,15,17,20)
InChIKeyJSSRPTNGYIOGKD-UHFFFAOYSA-N
XLogP2.34
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (CID 33039441) is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The canonical SMILES for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is Cc1nn(C)c(C)c1CCC(=O)Nc1nnc(C2CC2)s1.
What is the InChIKey of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The InChIKey is JSSRPTNGYIOGKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5OS/c1-8-11(9(2)19(3)18-8)6-7-12(20)15-14-17-16-13(21-14)10-4-5-10/h10H,4-7H2,1-3H3,(H,15,17,20).
What are the key properties of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide has a molecular weight of 305.41 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is sourced from PubChem (CID 33039441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).