N,5-dimethyl-N-propyl-1,3,4-thiadiazol-2-amine

C7H13N3S — CID 130743882

IUPACN,5-dimethyl-N-propyl-1,3,4-thiadiazol-2-amine
SMILESCCCN(C)c1nnc(C)s1
InChIInChI=1S/C7H13N3S/c1-4-5-10(3)7-9-8-6(2)11-7/h4-5H2,1-3H3
InChIKeyYUBDOJUIXLAFBT-UHFFFAOYSA-N
MW171.27 g/mol
LogP1.69
Rot. Bonds3

About N,5-dimethyl-N-propyl-1,3,4-thiadiazol-2-amine

N,5-dimethyl-N-propyl-1,3,4-thiadiazol-2-amine (PubChem CID 130743882) has the molecular formula C7H13N3S and a molecular weight of 171.27 g/mol. Its IUPAC name is N,5-dimethyl-N-propyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN,5-dimethyl-N-propyl-1,3,4-thiadiazol-2-amine
PubChem CID130743882
Molecular FormulaC7H13N3S
Molecular Weight171.27 g/mol
Exact Mass171.08
IUPAC NameN,5-dimethyl-N-propyl-1,3,4-thiadiazol-2-amine
SMILESCCCN(C)c1nnc(C)s1
InChIInChI=1S/C7H13N3S/c1-4-5-10(3)7-9-8-6(2)11-7/h4-5H2,1-3H3
InChIKeyYUBDOJUIXLAFBT-UHFFFAOYSA-N
XLogP1.69
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.27
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-Methyl-1,3,4-thiadiazol-2-yl)piperidine
CID 86769314
3-[(2-Cyanoethyl)(5-methyl-1,3,4-thiadiazol-2-yl)amino]propanenitrile
CID 652556
1,3,4-Thiadiazole, 2-(dimethylamino)-5-methyl-, hydrochloride
CID 3047401
N-methyl-5-propyl-N-(3,3,3-trifluoropropyl)-1,3,4-thiadiazol-2-amine
CID 75442120
N,N,5-trimethyl-1,3,4-thiadiazol-2-amine
CID 3047402
2-Ethyl-5-(pyrrolidin-1-yl)-1,3,4-thiadiazole
CID 154700595
2-(3-(Fluoromethyl)azetidin-1-yl)-5-methyl-1,3,4-thiadiazole
CID 121184977
2-(3,3-Difluoropyrrolidin-1-yl)-5-methyl-1,3,4-thiadiazole
CID 122269215
2-(3,3-Difluoroazetidin-1-yl)-5-methyl-1,3,4-thiadiazole
CID 122269409
2-[3-(Difluoromethyl)azetidin-1-yl]-5-methyl-1,3,4-thiadiazole
CID 122270082
2-(3-Fluoropyrrolidin-1-yl)-5-methyl-1,3,4-thiadiazole
CID 171701626
5-methyl-N,N-di(propan-2-yl)-1,3,4-thiadiazol-2-amine
CID 21365850

Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-N-propyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N,5-dimethyl-N-propyl-1,3,4-thiadiazol-2-amine (CID 130743882) is N,5-dimethyl-N-propyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N,5-dimethyl-N-propyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N,5-dimethyl-N-propyl-1,3,4-thiadiazol-2-amine is CCCN(C)c1nnc(C)s1.
What is the InChIKey of N,5-dimethyl-N-propyl-1,3,4-thiadiazol-2-amine?
The InChIKey is YUBDOJUIXLAFBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3S/c1-4-5-10(3)7-9-8-6(2)11-7/h4-5H2,1-3H3.
What are the key properties of N,5-dimethyl-N-propyl-1,3,4-thiadiazol-2-amine?
N,5-dimethyl-N-propyl-1,3,4-thiadiazol-2-amine has a molecular weight of 171.27 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-N-propyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 130743882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).