N-propyl-5-(1,3-thiazol-4-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine

C9H12N4S3 — CID 8891634

IUPACN-propyl-5-(1,3-thiazol-4-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine
SMILESCCCNc1nnc(SCc2cscn2)s1
InChIInChI=1S/C9H12N4S3/c1-2-3-10-8-12-13-9(16-8)15-5-7-4-14-6-11-7/h4,6H,2-3,5H2,1H3,(H,10,12)
InChIKeyFXWFZQAXNVJESM-UHFFFAOYSA-N
MW272.42 g/mol
LogP3.11
Rot. Bonds6

About N-propyl-5-(1,3-thiazol-4-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine

N-propyl-5-(1,3-thiazol-4-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine (PubChem CID 8891634) has the molecular formula C9H12N4S3 and a molecular weight of 272.42 g/mol. Its IUPAC name is N-propyl-5-(1,3-thiazol-4-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-propyl-5-(1,3-thiazol-4-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine
PubChem CID8891634
Molecular FormulaC9H12N4S3
Molecular Weight272.42 g/mol
Exact Mass272.02
IUPAC NameN-propyl-5-(1,3-thiazol-4-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine
SMILESCCCNc1nnc(SCc2cscn2)s1
InChIInChI=1S/C9H12N4S3/c1-2-3-10-8-12-13-9(16-8)15-5-7-4-14-6-11-7/h4,6H,2-3,5H2,1H3,(H,10,12)
InChIKeyFXWFZQAXNVJESM-UHFFFAOYSA-N
XLogP3.11
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.42
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 3955121
5-Ethyl-N-[(2-methyl-1,3-thiazol-4-YL)methyl]-1,3,4-thiadiazol-2-amine
CID 86782855
N-ethyl-5-[[2-(methylsulfonylmethyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 119041998
5-[(2-tert-butyl-1,3-thiazol-4-yl)methylsulfanyl]-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-amine
CID 48915411
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 114448207
N-[2-(1,3-thiazol-4-yl)ethyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 114448579
N-(1,3-thiazol-4-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 115912817
N-prop-2-enyl-5-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]sulfanyl]-1,3,4-thiadiazol-2-amine
CID 133382783
N-cyclopropyl-5-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 9208602
N-tert-butyl-5-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 40009362
2-[4-[2-[(1-Methyltetrazol-5-yl)amino]ethylsulfanylmethyl]-1,3-thiazol-2-yl]guanidine
CID 23323815
5-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-prop-2-enyl-1,3,4-thiadiazol-2-amine
CID 7797773

Frequently Asked Questions

What is the IUPAC name of N-propyl-5-(1,3-thiazol-4-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-propyl-5-(1,3-thiazol-4-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine (CID 8891634) is N-propyl-5-(1,3-thiazol-4-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-propyl-5-(1,3-thiazol-4-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-propyl-5-(1,3-thiazol-4-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine is CCCNc1nnc(SCc2cscn2)s1.
What is the InChIKey of N-propyl-5-(1,3-thiazol-4-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is FXWFZQAXNVJESM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4S3/c1-2-3-10-8-12-13-9(16-8)15-5-7-4-14-6-11-7/h4,6H,2-3,5H2,1H3,(H,10,12).
What are the key properties of N-propyl-5-(1,3-thiazol-4-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine?
N-propyl-5-(1,3-thiazol-4-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 272.42 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-5-(1,3-thiazol-4-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 8891634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).