N-propyl-4-(1,4-thiazepan-4-ylmethyl)thiadiazol-5-amine

C11H20N4S2 — CID 55046524

IUPACN-propyl-4-(1,4-thiazepan-4-ylmethyl)thiadiazol-5-amine
SMILESCCCNc1snnc1CN1CCCSCC1
InChIInChI=1S/C11H20N4S2/c1-2-4-12-11-10(13-14-17-11)9-15-5-3-7-16-8-6-15/h12H,2-9H2,1H3
InChIKeyOLUWZAJVDUEROJ-UHFFFAOYSA-N
MW272.44 g/mol
LogP2.30
Rot. Bonds5

About N-propyl-4-(1,4-thiazepan-4-ylmethyl)thiadiazol-5-amine

N-propyl-4-(1,4-thiazepan-4-ylmethyl)thiadiazol-5-amine (PubChem CID 55046524) has the molecular formula C11H20N4S2 and a molecular weight of 272.44 g/mol. Its IUPAC name is N-propyl-4-(1,4-thiazepan-4-ylmethyl)thiadiazol-5-amine.

Molecular Properties

Compound NameN-propyl-4-(1,4-thiazepan-4-ylmethyl)thiadiazol-5-amine
PubChem CID55046524
Molecular FormulaC11H20N4S2
Molecular Weight272.44 g/mol
Exact Mass272.11
IUPAC NameN-propyl-4-(1,4-thiazepan-4-ylmethyl)thiadiazol-5-amine
SMILESCCCNc1snnc1CN1CCCSCC1
InChIInChI=1S/C11H20N4S2/c1-2-4-12-11-10(13-14-17-11)9-15-5-3-7-16-8-6-15/h12H,2-9H2,1H3
InChIKeyOLUWZAJVDUEROJ-UHFFFAOYSA-N
XLogP2.30
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

CID 55045090
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CID 55046074
CID 55046074
CID 55046189
CID 55046189
CID 55046220
CID 55046220
CID 55046324
CID 55046324
CID 55046398
CID 55046398
CID 55046442
CID 55046442
CID 55046458
CID 55046458
CID 55046461
CID 55046461
CID 55046497
CID 55046497
CID 55046713
CID 55046713
CID 55046735
CID 55046735

Frequently Asked Questions

What is the IUPAC name of N-propyl-4-(1,4-thiazepan-4-ylmethyl)thiadiazol-5-amine?
The IUPAC name of N-propyl-4-(1,4-thiazepan-4-ylmethyl)thiadiazol-5-amine (CID 55046524) is N-propyl-4-(1,4-thiazepan-4-ylmethyl)thiadiazol-5-amine.
What is the SMILES notation for N-propyl-4-(1,4-thiazepan-4-ylmethyl)thiadiazol-5-amine?
The canonical SMILES for N-propyl-4-(1,4-thiazepan-4-ylmethyl)thiadiazol-5-amine is CCCNc1snnc1CN1CCCSCC1.
What is the InChIKey of N-propyl-4-(1,4-thiazepan-4-ylmethyl)thiadiazol-5-amine?
The InChIKey is OLUWZAJVDUEROJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4S2/c1-2-4-12-11-10(13-14-17-11)9-15-5-3-7-16-8-6-15/h12H,2-9H2,1H3.
What are the key properties of N-propyl-4-(1,4-thiazepan-4-ylmethyl)thiadiazol-5-amine?
N-propyl-4-(1,4-thiazepan-4-ylmethyl)thiadiazol-5-amine has a molecular weight of 272.44 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-4-(1,4-thiazepan-4-ylmethyl)thiadiazol-5-amine is sourced from PubChem (CID 55046524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).