N-[2-(1,3-thiazol-2-ylsulfanyl)propyl]pentan-1-amine

C11H20N2S2 — CID 62581020

IUPACN-[2-(1,3-thiazol-2-ylsulfanyl)propyl]pentan-1-amine
SMILESCCCCCNCC(C)Sc1nccs1
InChIInChI=1S/C11H20N2S2/c1-3-4-5-6-12-9-10(2)15-11-13-7-8-14-11/h7-8,10,12H,3-6,9H2,1-2H3
InChIKeyKZMMHBIBICXXMZ-UHFFFAOYSA-N
MW244.43 g/mol
LogP3.40
Rot. Bonds8

About N-[2-(1,3-thiazol-2-ylsulfanyl)propyl]pentan-1-amine

N-[2-(1,3-thiazol-2-ylsulfanyl)propyl]pentan-1-amine (PubChem CID 62581020) has the molecular formula C11H20N2S2 and a molecular weight of 244.43 g/mol. Its IUPAC name is N-[2-(1,3-thiazol-2-ylsulfanyl)propyl]pentan-1-amine.

Molecular Properties

Compound NameN-[2-(1,3-thiazol-2-ylsulfanyl)propyl]pentan-1-amine
PubChem CID62581020
Molecular FormulaC11H20N2S2
Molecular Weight244.43 g/mol
Exact Mass244.11
IUPAC NameN-[2-(1,3-thiazol-2-ylsulfanyl)propyl]pentan-1-amine
SMILESCCCCCNCC(C)Sc1nccs1
InChIInChI=1S/C11H20N2S2/c1-3-4-5-6-12-9-10(2)15-11-13-7-8-14-11/h7-8,10,12H,3-6,9H2,1-2H3
InChIKeyKZMMHBIBICXXMZ-UHFFFAOYSA-N
XLogP3.40
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.43
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[2-(1,3-thiazol-2-ylsulfanyl)propyl]propan-1-amine
CID 62580662
N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]pentan-1-amine
CID 62578684
N-[2-(1,3-benzothiazol-2-ylsulfanyl)propyl]pentan-1-amine
CID 62578544
N-(2-pyrazin-2-ylsulfanylpropyl)butan-1-amine
CID 63381220
3-(1,3-thiazol-2-ylsulfanyl)butanenitrile
CID 61220077
N-ethyl-3-(1,3-thiazol-2-ylsulfanyl)propan-1-amine
CID 61386176
N-[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]propyl]pentan-1-amine
CID 102925906
N-[2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propyl]pentan-1-amine
CID 106925868
4-methyl-N-[2-(1,3-thiazol-2-ylsulfanyl)ethyl]pentan-1-amine
CID 62579563
methyl 2-methyl-2-(propylamino)-4-(1,3-thiazol-2-ylsulfanyl)pentanoate
CID 64703303
2-(1,1,1-trifluoropropan-2-ylsulfanyl)-1,3-thiazole
CID 130754692
4-(1,3-thiazol-2-ylsulfanyl)pentanehydrazide
CID 63581257

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-thiazol-2-ylsulfanyl)propyl]pentan-1-amine?
The IUPAC name of N-[2-(1,3-thiazol-2-ylsulfanyl)propyl]pentan-1-amine (CID 62581020) is N-[2-(1,3-thiazol-2-ylsulfanyl)propyl]pentan-1-amine.
What is the SMILES notation for N-[2-(1,3-thiazol-2-ylsulfanyl)propyl]pentan-1-amine?
The canonical SMILES for N-[2-(1,3-thiazol-2-ylsulfanyl)propyl]pentan-1-amine is CCCCCNCC(C)Sc1nccs1.
What is the InChIKey of N-[2-(1,3-thiazol-2-ylsulfanyl)propyl]pentan-1-amine?
The InChIKey is KZMMHBIBICXXMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2S2/c1-3-4-5-6-12-9-10(2)15-11-13-7-8-14-11/h7-8,10,12H,3-6,9H2,1-2H3.
What are the key properties of N-[2-(1,3-thiazol-2-ylsulfanyl)propyl]pentan-1-amine?
N-[2-(1,3-thiazol-2-ylsulfanyl)propyl]pentan-1-amine has a molecular weight of 244.43 g/mol, XLogP of 3.40, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-thiazol-2-ylsulfanyl)propyl]pentan-1-amine is sourced from PubChem (CID 62581020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).