5-[3-(dimethylamino)propylsulfanyl]-4-methyl-1,3-thiazol-2-amine

C9H17N3S2 — CID 114525516

IUPAC5-[3-(dimethylamino)propylsulfanyl]-4-methyl-1,3-thiazol-2-amine
SMILESCc1nc(N)sc1SCCCN(C)C
InChIInChI=1S/C9H17N3S2/c1-7-8(14-9(10)11-7)13-6-4-5-12(2)3/h4-6H2,1-3H3,(H2,10,11)
InChIKeyHLIBLEKSMANTMB-UHFFFAOYSA-N
MW231.39 g/mol
LogP2.08
Rot. Bonds5

About 5-[3-(dimethylamino)propylsulfanyl]-4-methyl-1,3-thiazol-2-amine

5-[3-(dimethylamino)propylsulfanyl]-4-methyl-1,3-thiazol-2-amine (PubChem CID 114525516) has the molecular formula C9H17N3S2 and a molecular weight of 231.39 g/mol. Its IUPAC name is 5-[3-(dimethylamino)propylsulfanyl]-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[3-(dimethylamino)propylsulfanyl]-4-methyl-1,3-thiazol-2-amine
PubChem CID114525516
Molecular FormulaC9H17N3S2
Molecular Weight231.39 g/mol
Exact Mass231.09
IUPAC Name5-[3-(dimethylamino)propylsulfanyl]-4-methyl-1,3-thiazol-2-amine
SMILESCc1nc(N)sc1SCCCN(C)C
InChIInChI=1S/C9H17N3S2/c1-7-8(14-9(10)11-7)13-6-4-5-12(2)3/h4-6H2,1-3H3,(H2,10,11)
InChIKeyHLIBLEKSMANTMB-UHFFFAOYSA-N
XLogP2.08
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.39
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-methyl-5-nonylsulfanyl-1,3-thiazol-2-amine
CID 43129559
5-hexylsulfanyl-4-methyl-1,3-thiazol-2-amine
CID 29006653
5-(2-butoxyethylsulfanyl)-4-methyl-1,3-thiazol-2-amine
CID 61483393
4-methyl-5-(2-phenylsulfanylethylsulfanyl)-1,3-thiazol-2-amine
CID 79222133
4-methyl-5-(2-pyrrolidin-1-ylethylsulfanyl)-1,3-thiazol-2-amine
CID 28782698
5-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfanyl]-4-methyl-1,3-thiazol-2-amine
CID 113427109
4-methyl-5-(3-pyrrolidin-2-ylpropylsulfanyl)-1,3-thiazol-2-amine
CID 62479790
4-methyl-5-(2-propan-2-ylsulfonylethylsulfanyl)-1,3-thiazol-2-amine
CID 106725560
4-methyl-5-[3-(3-methylphenoxy)propylsulfanyl]-1,3-thiazol-2-amine
CID 43250574
5-but-2-ynylsulfanyl-4-methyl-1,3-thiazol-2-amine
CID 62311364
5-[2-(3,5-dimethylphenoxy)ethylsulfanyl]-4-methyl-1,3-thiazol-2-amine
CID 43250718
3-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-propan-2-ylpropanamide
CID 62625727

Frequently Asked Questions

What is the IUPAC name of 5-[3-(dimethylamino)propylsulfanyl]-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[3-(dimethylamino)propylsulfanyl]-4-methyl-1,3-thiazol-2-amine (CID 114525516) is 5-[3-(dimethylamino)propylsulfanyl]-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[3-(dimethylamino)propylsulfanyl]-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[3-(dimethylamino)propylsulfanyl]-4-methyl-1,3-thiazol-2-amine is Cc1nc(N)sc1SCCCN(C)C.
What is the InChIKey of 5-[3-(dimethylamino)propylsulfanyl]-4-methyl-1,3-thiazol-2-amine?
The InChIKey is HLIBLEKSMANTMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3S2/c1-7-8(14-9(10)11-7)13-6-4-5-12(2)3/h4-6H2,1-3H3,(H2,10,11).
What are the key properties of 5-[3-(dimethylamino)propylsulfanyl]-4-methyl-1,3-thiazol-2-amine?
5-[3-(dimethylamino)propylsulfanyl]-4-methyl-1,3-thiazol-2-amine has a molecular weight of 231.39 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(dimethylamino)propylsulfanyl]-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 114525516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).