N-propyl-5-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine

C13H14N4S4 — CID 46826460

IUPACN-propyl-5-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
SMILESCCCNc1nnc(SCc2csc(-c3cccs3)n2)s1
InChIInChI=1S/C13H14N4S4/c1-2-5-14-12-16-17-13(21-12)20-8-9-7-19-11(15-9)10-4-3-6-18-10/h3-4,6-7H,2,5,8H2,1H3,(H,14,16)
InChIKeyHCNKLYAZMKBITN-UHFFFAOYSA-N
MW354.55 g/mol
LogP4.84
Rot. Bonds7

About N-propyl-5-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine

N-propyl-5-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine (PubChem CID 46826460) has the molecular formula C13H14N4S4 and a molecular weight of 354.55 g/mol. Its IUPAC name is N-propyl-5-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-propyl-5-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
PubChem CID46826460
Molecular FormulaC13H14N4S4
Molecular Weight354.55 g/mol
Exact Mass354.01
IUPAC NameN-propyl-5-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
SMILESCCCNc1nnc(SCc2csc(-c3cccs3)n2)s1
InChIInChI=1S/C13H14N4S4/c1-2-5-14-12-16-17-13(21-12)20-8-9-7-19-11(15-9)10-4-3-6-18-10/h3-4,6-7H,2,5,8H2,1H3,(H,14,16)
InChIKeyHCNKLYAZMKBITN-UHFFFAOYSA-N
XLogP4.84
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.55
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-propyl-5-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-propyl-5-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine (CID 46826460) is N-propyl-5-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-propyl-5-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-propyl-5-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine is CCCNc1nnc(SCc2csc(-c3cccs3)n2)s1.
What is the InChIKey of N-propyl-5-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is HCNKLYAZMKBITN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4S4/c1-2-5-14-12-16-17-13(21-12)20-8-9-7-19-11(15-9)10-4-3-6-18-10/h3-4,6-7H,2,5,8H2,1H3,(H,14,16).
What are the key properties of N-propyl-5-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine?
N-propyl-5-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 354.55 g/mol, XLogP of 4.84, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-5-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 46826460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).