N-[[1,3-dimethyl-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrazol-4-yl]methyl]-2-methylpropan-2-amine

C13H21N5S2 — CID 63808216

IUPACN-[[1,3-dimethyl-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrazol-4-yl]methyl]-2-methylpropan-2-amine
SMILESCc1nnc(Sc2c(CNC(C)(C)C)c(C)nn2C)s1
InChIInChI=1S/C13H21N5S2/c1-8-10(7-14-13(3,4)5)11(18(6)17-8)20-12-16-15-9(2)19-12/h14H,7H2,1-6H3
InChIKeyMELOLNBPHYVZFR-UHFFFAOYSA-N
MW311.48 g/mol
LogP2.93
Rot. Bonds4

About N-[[1,3-dimethyl-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrazol-4-yl]methyl]-2-methylpropan-2-amine

N-[[1,3-dimethyl-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrazol-4-yl]methyl]-2-methylpropan-2-amine (PubChem CID 63808216) has the molecular formula C13H21N5S2 and a molecular weight of 311.48 g/mol. Its IUPAC name is N-[[1,3-dimethyl-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrazol-4-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[1,3-dimethyl-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrazol-4-yl]methyl]-2-methylpropan-2-amine
PubChem CID63808216
Molecular FormulaC13H21N5S2
Molecular Weight311.48 g/mol
Exact Mass311.12
IUPAC NameN-[[1,3-dimethyl-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrazol-4-yl]methyl]-2-methylpropan-2-amine
SMILESCc1nnc(Sc2c(CNC(C)(C)C)c(C)nn2C)s1
InChIInChI=1S/C13H21N5S2/c1-8-10(7-14-13(3,4)5)11(18(6)17-8)20-12-16-15-9(2)19-12/h14H,7H2,1-6H3
InChIKeyMELOLNBPHYVZFR-UHFFFAOYSA-N
XLogP2.93
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.48
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[1,3-dimethyl-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrazol-4-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[1,3-dimethyl-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrazol-4-yl]methyl]-2-methylpropan-2-amine (CID 63808216) is N-[[1,3-dimethyl-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrazol-4-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[1,3-dimethyl-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrazol-4-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[1,3-dimethyl-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrazol-4-yl]methyl]-2-methylpropan-2-amine is Cc1nnc(Sc2c(CNC(C)(C)C)c(C)nn2C)s1.
What is the InChIKey of N-[[1,3-dimethyl-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrazol-4-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is MELOLNBPHYVZFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5S2/c1-8-10(7-14-13(3,4)5)11(18(6)17-8)20-12-16-15-9(2)19-12/h14H,7H2,1-6H3.
What are the key properties of N-[[1,3-dimethyl-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrazol-4-yl]methyl]-2-methylpropan-2-amine?
N-[[1,3-dimethyl-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrazol-4-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 311.48 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1,3-dimethyl-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrazol-4-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 63808216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).