N-methyl-1-(1,3-thiazol-2-ylsulfanyl)pentan-2-amine

C9H16N2S2 — CID 64626307

IUPACN-methyl-1-(1,3-thiazol-2-ylsulfanyl)pentan-2-amine
SMILESCCCC(CSc1nccs1)NC
InChIInChI=1S/C9H16N2S2/c1-3-4-8(10-2)7-13-9-11-5-6-12-9/h5-6,8,10H,3-4,7H2,1-2H3
InChIKeyYDCQWCCAHOPAFE-UHFFFAOYSA-N
MW216.37 g/mol
LogP2.62
Rot. Bonds6

About N-methyl-1-(1,3-thiazol-2-ylsulfanyl)pentan-2-amine

N-methyl-1-(1,3-thiazol-2-ylsulfanyl)pentan-2-amine (PubChem CID 64626307) has the molecular formula C9H16N2S2 and a molecular weight of 216.37 g/mol. Its IUPAC name is N-methyl-1-(1,3-thiazol-2-ylsulfanyl)pentan-2-amine.

Molecular Properties

Compound NameN-methyl-1-(1,3-thiazol-2-ylsulfanyl)pentan-2-amine
PubChem CID64626307
Molecular FormulaC9H16N2S2
Molecular Weight216.37 g/mol
Exact Mass216.08
IUPAC NameN-methyl-1-(1,3-thiazol-2-ylsulfanyl)pentan-2-amine
SMILESCCCC(CSc1nccs1)NC
InChIInChI=1S/C9H16N2S2/c1-3-4-8(10-2)7-13-9-11-5-6-12-9/h5-6,8,10H,3-4,7H2,1-2H3
InChIKeyYDCQWCCAHOPAFE-UHFFFAOYSA-N
XLogP2.62
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}

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Related Compounds

N-methyl-1-(1,3-thiazol-2-ylsulfanyl)butan-2-amine
CID 64626494
N,3,3-trimethyl-1-(1,3-thiazol-2-ylsulfanyl)butan-2-amine
CID 64626697
N-methyl-1-(4-propoxyphenyl)-2-(1,3-thiazol-2-ylsulfanyl)ethanamine
CID 64627300
1-(1,3-thiazol-2-ylsulfanyl)propan-2-amine
CID 64628516
N-methyl-2-(1,3-thiazol-2-ylsulfanyl)ethanamine
CID 61386152
N-[1-(4-propan-2-ylphenyl)-2-(1,3-thiazol-2-ylsulfanyl)ethyl]propan-1-amine
CID 64626706
N-methyl-1-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pentan-2-amine
CID 104604673
N-ethyl-5-(1,3-thiazol-2-ylsulfanyl)pentan-2-amine
CID 64626311
2-(propylamino)-4-(1,3-thiazol-2-ylsulfanyl)butanenitrile
CID 63054268
4-methyl-N-[2-(1,3-thiazol-2-ylsulfanyl)ethyl]pentan-1-amine
CID 62579563
N-methyl-1-(1,3-thiazol-2-yl)heptan-2-amine
CID 105015264
N-methyl-1-phenylsulfanyl-3-(1,3-thiazol-2-yl)propan-2-amine
CID 79824156

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1,3-thiazol-2-ylsulfanyl)pentan-2-amine?
The IUPAC name of N-methyl-1-(1,3-thiazol-2-ylsulfanyl)pentan-2-amine (CID 64626307) is N-methyl-1-(1,3-thiazol-2-ylsulfanyl)pentan-2-amine.
What is the SMILES notation for N-methyl-1-(1,3-thiazol-2-ylsulfanyl)pentan-2-amine?
The canonical SMILES for N-methyl-1-(1,3-thiazol-2-ylsulfanyl)pentan-2-amine is CCCC(CSc1nccs1)NC.
What is the InChIKey of N-methyl-1-(1,3-thiazol-2-ylsulfanyl)pentan-2-amine?
The InChIKey is YDCQWCCAHOPAFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2S2/c1-3-4-8(10-2)7-13-9-11-5-6-12-9/h5-6,8,10H,3-4,7H2,1-2H3.
What are the key properties of N-methyl-1-(1,3-thiazol-2-ylsulfanyl)pentan-2-amine?
N-methyl-1-(1,3-thiazol-2-ylsulfanyl)pentan-2-amine has a molecular weight of 216.37 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1,3-thiazol-2-ylsulfanyl)pentan-2-amine is sourced from PubChem (CID 64626307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).