N-propyl-3-thiophen-2-yl-1,2,4-thiadiazol-5-amine

C9H11N3S2 — CID 65268420

IUPACN-propyl-3-thiophen-2-yl-1,2,4-thiadiazol-5-amine
SMILESCCCNc1nc(-c2cccs2)ns1
InChIInChI=1S/C9H11N3S2/c1-2-5-10-9-11-8(12-14-9)7-4-3-6-13-7/h3-4,6H,2,5H2,1H3,(H,10,11,12)
InChIKeyHVEFRXPWNVTTSQ-UHFFFAOYSA-N
MW225.34 g/mol
LogP3.09
Rot. Bonds4

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

N-propyl-3-thiophen-2-yl-1,2,4-thiadiazol-5-amine (PubChem CID 65268420) has the molecular formula C9H11N3S2 and a molecular weight of 225.34 g/mol. Its IUPAC name is N-propyl-3-thiophen-2-yl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-propyl-3-thiophen-2-yl-1,2,4-thiadiazol-5-amine
PubChem CID65268420
Molecular FormulaC9H11N3S2
Molecular Weight225.34 g/mol
Exact Mass225.04
IUPAC NameN-propyl-3-thiophen-2-yl-1,2,4-thiadiazol-5-amine
SMILESCCCNc1nc(-c2cccs2)ns1
InChIInChI=1S/C9H11N3S2/c1-2-5-10-9-11-8(12-14-9)7-4-3-6-13-7/h3-4,6H,2,5H2,1H3,(H,10,11,12)
InChIKeyHVEFRXPWNVTTSQ-UHFFFAOYSA-N
XLogP3.09
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-propyl-3-pyridin-4-yl-1,2,4-thiadiazol-5-amine
CID 65268415
3-(4-ethylphenyl)-N-propyl-1,2,4-thiadiazol-5-amine
CID 65268471
3-(3-bromophenyl)-N-propyl-1,2,4-thiadiazol-5-amine
CID 65268642
N-propyl-5-(2-thiophen-2-yl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine
CID 82424489
3-(3,5-dichloro-2-pyridinyl)-N-propyl-1,2,4-thiadiazol-5-amine
CID 79777620
N-propyl-3-(1H-pyrazol-4-yl)-1,2,4-thiadiazol-5-amine
CID 137213794
N-propylthiophen-2-amine;hydrochloride
CID 22714339
3-chloro-2-methyl-N-(3-thiophen-2-yl-1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 21081312
N-propyl-4-(2-thiophen-2-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine
CID 82424494
5,6-dimethyl-N-propyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 60634136
3-(3-chloro-4-fluorophenyl)-N-propyl-1,2,4-thiadiazol-5-amine
CID 65268814
N-propyl-3-(pyridin-4-ylmethyl)-1,2,4-thiadiazol-5-amine
CID 65268531

Frequently Asked Questions

What is the IUPAC name of N-propyl-3-thiophen-2-yl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-propyl-3-thiophen-2-yl-1,2,4-thiadiazol-5-amine (CID 65268420) is N-propyl-3-thiophen-2-yl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-propyl-3-thiophen-2-yl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-propyl-3-thiophen-2-yl-1,2,4-thiadiazol-5-amine is CCCNc1nc(-c2cccs2)ns1.
What is the InChIKey of N-propyl-3-thiophen-2-yl-1,2,4-thiadiazol-5-amine?
The InChIKey is HVEFRXPWNVTTSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3S2/c1-2-5-10-9-11-8(12-14-9)7-4-3-6-13-7/h3-4,6H,2,5H2,1H3,(H,10,11,12).
What are the key properties of N-propyl-3-thiophen-2-yl-1,2,4-thiadiazol-5-amine?
N-propyl-3-thiophen-2-yl-1,2,4-thiadiazol-5-amine has a molecular weight of 225.34 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-3-thiophen-2-yl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65268420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).