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

C13H20N6S2 — CID 63804974

IUPAC5-[4-[(cyclopropylamino)methyl]-1,3-dimethylpyrazol-5-yl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCc1nn(C)c(Sc2nnc(N(C)C)s2)c1CNC1CC1
InChIInChI=1S/C13H20N6S2/c1-8-10(7-14-9-5-6-9)11(19(4)17-8)20-13-16-15-12(21-13)18(2)3/h9,14H,5-7H2,1-4H3
InChIKeyNENDTGOHOFHTNU-UHFFFAOYSA-N
MW324.48 g/mol
LogP2.05
Rot. Bonds6

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

5-[4-[(cyclopropylamino)methyl]-1,3-dimethylpyrazol-5-yl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine (PubChem CID 63804974) has the molecular formula C13H20N6S2 and a molecular weight of 324.48 g/mol. Its IUPAC name is 5-[4-[(cyclopropylamino)methyl]-1,3-dimethylpyrazol-5-yl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[4-[(cyclopropylamino)methyl]-1,3-dimethylpyrazol-5-yl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
PubChem CID63804974
Molecular FormulaC13H20N6S2
Molecular Weight324.48 g/mol
Exact Mass324.12
IUPAC Name5-[4-[(cyclopropylamino)methyl]-1,3-dimethylpyrazol-5-yl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCc1nn(C)c(Sc2nnc(N(C)C)s2)c1CNC1CC1
InChIInChI=1S/C13H20N6S2/c1-8-10(7-14-9-5-6-9)11(19(4)17-8)20-13-16-15-12(21-13)18(2)3/h9,14H,5-7H2,1-4H3
InChIKeyNENDTGOHOFHTNU-UHFFFAOYSA-N
XLogP2.05
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.48
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-[4-[(cyclopropylamino)methyl]-1,3-dimethylpyrazol-5-yl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine with MolForge

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Related Compounds

N-[[1,3-dimethyl-5-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrazol-4-yl]methyl]cyclopropanamine
CID 63814528
N-[[5-(2-methoxyethylsulfanyl)-1,3-dimethylpyrazol-4-yl]methyl]cyclopropanamine
CID 55239058
N-[[5-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-1,3-dimethylpyrazol-4-yl]methyl]cyclopropanamine
CID 102926098
N-[[1,3-dimethyl-5-(2-methyloxolan-3-yl)sulfanylpyrazol-4-yl]methyl]cyclopropanamine
CID 107761321
5-[5-bromo-2-[(cyclopropylamino)methyl]phenyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 63804807
N-[[5-(3,4-difluorophenyl)sulfanyl-1,3-dimethylpyrazol-4-yl]methyl]cyclopropanamine
CID 63807981
N-[[1,3-dimethyl-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrazol-4-yl]methyl]-2-methylpropan-2-amine
CID 63808216
4-[(cyclopropylamino)methyl]-N,N-diethyl-1,3-dimethylpyrazol-5-amine
CID 43280325
N-[4-[(cyclopropylamino)methyl]-1,3-dimethylpyrazol-5-yl]-N,1-dimethylpiperidin-4-amine
CID 43280902
methyl 3-[4-[(cyclopropylamino)methyl]-1,3-dimethylpyrazol-5-yl]sulfanylpropanoate
CID 63809082
2-[[4-[(cyclopropylamino)methyl]-1,3-dimethylpyrazol-5-yl]-methylamino]acetamide
CID 43374144
4-[(cyclopropylamino)methyl]-N-(1-cyclopropylethyl)-N,1,3-trimethylpyrazol-5-amine
CID 43569438

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(cyclopropylamino)methyl]-1,3-dimethylpyrazol-5-yl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[4-[(cyclopropylamino)methyl]-1,3-dimethylpyrazol-5-yl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine (CID 63804974) is 5-[4-[(cyclopropylamino)methyl]-1,3-dimethylpyrazol-5-yl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[4-[(cyclopropylamino)methyl]-1,3-dimethylpyrazol-5-yl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[4-[(cyclopropylamino)methyl]-1,3-dimethylpyrazol-5-yl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine is Cc1nn(C)c(Sc2nnc(N(C)C)s2)c1CNC1CC1.
What is the InChIKey of 5-[4-[(cyclopropylamino)methyl]-1,3-dimethylpyrazol-5-yl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The InChIKey is NENDTGOHOFHTNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6S2/c1-8-10(7-14-9-5-6-9)11(19(4)17-8)20-13-16-15-12(21-13)18(2)3/h9,14H,5-7H2,1-4H3.
What are the key properties of 5-[4-[(cyclopropylamino)methyl]-1,3-dimethylpyrazol-5-yl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
5-[4-[(cyclopropylamino)methyl]-1,3-dimethylpyrazol-5-yl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine has a molecular weight of 324.48 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(cyclopropylamino)methyl]-1,3-dimethylpyrazol-5-yl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 63804974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).