N,N-dimethyl-5-[1-(pentan-2-ylamino)propan-2-ylsulfanyl]-1,3,4-thiadiazol-2-amine

C12H24N4S2 — CID 63736996

IUPACN,N-dimethyl-5-[1-(pentan-2-ylamino)propan-2-ylsulfanyl]-1,3,4-thiadiazol-2-amine
SMILESCCCC(C)NCC(C)Sc1nnc(N(C)C)s1
InChIInChI=1S/C12H24N4S2/c1-6-7-9(2)13-8-10(3)17-12-15-14-11(18-12)16(4)5/h9-10,13H,6-8H2,1-5H3
InChIKeyMNJQDKHAHUHFGS-UHFFFAOYSA-N
MW288.49 g/mol
LogP2.86
Rot. Bonds8

About N,N-dimethyl-5-[1-(pentan-2-ylamino)propan-2-ylsulfanyl]-1,3,4-thiadiazol-2-amine

N,N-dimethyl-5-[1-(pentan-2-ylamino)propan-2-ylsulfanyl]-1,3,4-thiadiazol-2-amine (PubChem CID 63736996) has the molecular formula C12H24N4S2 and a molecular weight of 288.49 g/mol. Its IUPAC name is N,N-dimethyl-5-[1-(pentan-2-ylamino)propan-2-ylsulfanyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-5-[1-(pentan-2-ylamino)propan-2-ylsulfanyl]-1,3,4-thiadiazol-2-amine
PubChem CID63736996
Molecular FormulaC12H24N4S2
Molecular Weight288.49 g/mol
Exact Mass288.14
IUPAC NameN,N-dimethyl-5-[1-(pentan-2-ylamino)propan-2-ylsulfanyl]-1,3,4-thiadiazol-2-amine
SMILESCCCC(C)NCC(C)Sc1nnc(N(C)C)s1
InChIInChI=1S/C12H24N4S2/c1-6-7-9(2)13-8-10(3)17-12-15-14-11(18-12)16(4)5/h9-10,13H,6-8H2,1-5H3
InChIKeyMNJQDKHAHUHFGS-UHFFFAOYSA-N
XLogP2.86
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.49
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-[1-(pentan-2-ylamino)propan-2-ylsulfanyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of N,N-dimethyl-5-[1-(pentan-2-ylamino)propan-2-ylsulfanyl]-1,3,4-thiadiazol-2-amine (CID 63736996) is N,N-dimethyl-5-[1-(pentan-2-ylamino)propan-2-ylsulfanyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N,N-dimethyl-5-[1-(pentan-2-ylamino)propan-2-ylsulfanyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N,N-dimethyl-5-[1-(pentan-2-ylamino)propan-2-ylsulfanyl]-1,3,4-thiadiazol-2-amine is CCCC(C)NCC(C)Sc1nnc(N(C)C)s1.
What is the InChIKey of N,N-dimethyl-5-[1-(pentan-2-ylamino)propan-2-ylsulfanyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is MNJQDKHAHUHFGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4S2/c1-6-7-9(2)13-8-10(3)17-12-15-14-11(18-12)16(4)5/h9-10,13H,6-8H2,1-5H3.
What are the key properties of N,N-dimethyl-5-[1-(pentan-2-ylamino)propan-2-ylsulfanyl]-1,3,4-thiadiazol-2-amine?
N,N-dimethyl-5-[1-(pentan-2-ylamino)propan-2-ylsulfanyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 288.49 g/mol, XLogP of 2.86, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-[1-(pentan-2-ylamino)propan-2-ylsulfanyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 63736996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).