N-[4-(1,3-thiazol-2-yl)butyl]thietan-3-amine

C10H16N2S2 — CID 170898385

IUPACN-[4-(1,3-thiazol-2-yl)butyl]thietan-3-amine
SMILESc1csc(CCCCNC2CSC2)n1
InChIInChI=1S/C10H16N2S2/c1(3-10-12-5-6-14-10)2-4-11-9-7-13-8-9/h5-6,9,11H,1-4,7-8H2
InChIKeyUGRUAQBKGVVCHX-UHFFFAOYSA-N
MW228.39 g/mol
LogP2.17
Rot. Bonds6

About N-[4-(1,3-thiazol-2-yl)butyl]thietan-3-amine

N-[4-(1,3-thiazol-2-yl)butyl]thietan-3-amine (PubChem CID 170898385) has the molecular formula C10H16N2S2 and a molecular weight of 228.39 g/mol. Its IUPAC name is N-[4-(1,3-thiazol-2-yl)butyl]thietan-3-amine.

Molecular Properties

Compound NameN-[4-(1,3-thiazol-2-yl)butyl]thietan-3-amine
PubChem CID170898385
Molecular FormulaC10H16N2S2
Molecular Weight228.39 g/mol
Exact Mass228.08
IUPAC NameN-[4-(1,3-thiazol-2-yl)butyl]thietan-3-amine
SMILESc1csc(CCCCNC2CSC2)n1
InChIInChI=1S/C10H16N2S2/c1(3-10-12-5-6-14-10)2-4-11-9-7-13-8-9/h5-6,9,11H,1-4,7-8H2
InChIKeyUGRUAQBKGVVCHX-UHFFFAOYSA-N
XLogP2.17
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.39
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[4-(1,3-thiazol-2-yl)butyl]thietan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-propan-2-yl-4-(1,3-thiazol-2-yl)butan-1-amine
CID 79824082
N'-cyclopentyl-N-[2-(1,3-thiazol-2-yl)ethyl]ethane-1,2-diamine
CID 63240568
3-propan-2-yl-N-[2-(1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine
CID 103561913
3,4-dimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]cyclohexan-1-amine
CID 64745631
1-N-[2-(1,3-thiazol-2-yl)ethyl]cyclohexane-1,3-diamine
CID 79459271
4-methyl-N-(1,3-thiazol-2-ylmethyl)thiolan-3-amine
CID 130519810
2-methyl-N-[3-(1,3-thiazol-2-yl)propyl]propan-2-amine
CID 79823969
4-(thietan-3-ylamino)butan-1-ol
CID 126989809
1-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]azepan-4-amine
CID 65075080
N-methyl-4-(1,3-thiazol-2-ylmethyl)thiolan-3-amine
CID 83195453
N-propyl-3-(1,3-thiazol-2-yl)propan-1-amine
CID 79823745
4-(2-methylbutan-2-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]cyclohexan-1-amine
CID 63242595

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-thiazol-2-yl)butyl]thietan-3-amine?
The IUPAC name of N-[4-(1,3-thiazol-2-yl)butyl]thietan-3-amine (CID 170898385) is N-[4-(1,3-thiazol-2-yl)butyl]thietan-3-amine.
What is the SMILES notation for N-[4-(1,3-thiazol-2-yl)butyl]thietan-3-amine?
The canonical SMILES for N-[4-(1,3-thiazol-2-yl)butyl]thietan-3-amine is c1csc(CCCCNC2CSC2)n1.
What is the InChIKey of N-[4-(1,3-thiazol-2-yl)butyl]thietan-3-amine?
The InChIKey is UGRUAQBKGVVCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2S2/c1(3-10-12-5-6-14-10)2-4-11-9-7-13-8-9/h5-6,9,11H,1-4,7-8H2.
What are the key properties of N-[4-(1,3-thiazol-2-yl)butyl]thietan-3-amine?
N-[4-(1,3-thiazol-2-yl)butyl]thietan-3-amine has a molecular weight of 228.39 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-thiazol-2-yl)butyl]thietan-3-amine is sourced from PubChem (CID 170898385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).