N-[2-(1,3-benzothiazol-2-yl)ethyl]thian-4-amine

C14H18N2S2 — CID 43394930

IUPACN-[2-(1,3-benzothiazol-2-yl)ethyl]thian-4-amine
SMILESc1ccc2sc(CCNC3CCSCC3)nc2c1
InChIInChI=1S/C14H18N2S2/c1-2-4-13-12(3-1)16-14(18-13)5-8-15-11-6-9-17-10-7-11/h1-4,11,15H,5-10H2
InChIKeyWMUKTJHJCPFQRQ-UHFFFAOYSA-N
MW278.45 g/mol
LogP3.32
Rot. Bonds4

About N-[2-(1,3-benzothiazol-2-yl)ethyl]thian-4-amine

N-[2-(1,3-benzothiazol-2-yl)ethyl]thian-4-amine (PubChem CID 43394930) has the molecular formula C14H18N2S2 and a molecular weight of 278.45 g/mol. Its IUPAC name is N-[2-(1,3-benzothiazol-2-yl)ethyl]thian-4-amine.

Molecular Properties

Compound NameN-[2-(1,3-benzothiazol-2-yl)ethyl]thian-4-amine
PubChem CID43394930
Molecular FormulaC14H18N2S2
Molecular Weight278.45 g/mol
Exact Mass278.09
IUPAC NameN-[2-(1,3-benzothiazol-2-yl)ethyl]thian-4-amine
SMILESc1ccc2sc(CCNC3CCSCC3)nc2c1
InChIInChI=1S/C14H18N2S2/c1-2-4-13-12(3-1)16-14(18-13)5-8-15-11-6-9-17-10-7-11/h1-4,11,15H,5-10H2
InChIKeyWMUKTJHJCPFQRQ-UHFFFAOYSA-N
XLogP3.32
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.45
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1,3-benzothiazol-2-yl)ethyl]-2,3-dihydro-1H-inden-2-amine
CID 43512900
ethyl 4-[2-(1,3-benzothiazol-2-yl)ethylamino]piperidine-1-carboxylate
CID 57059005
2-(1,3-benzothiazol-2-yl)-N-(cyclopropylmethyl)ethanamine
CID 43654900
N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-cyclohexylethanamine
CID 83961945
N-[2-(6-fluoro-1,3-benzothiazol-2-yl)ethyl]cyclopropanamine
CID 79148219
N'-(1,3-benzothiazol-2-ylmethyl)-N-cyclopropyl-N'-methylethane-1,2-diamine
CID 104631221
4-(1,3-benzothiazol-2-ylmethylamino)cyclohexan-1-ol
CID 103603751
N-[[2-(1,3-benzothiazol-2-ylmethyl)phenyl]methyl]cyclopropanamine
CID 79825698
3-(1,3-benzothiazol-2-yl)-N-cyclopentylpropanamide
CID 9215184
N-[3-(1,3-benzothiazol-2-yl)-2-methylpropyl]cyclopropanamine
CID 104631791
2-[6-(1,3-benzothiazol-2-yl)hexyl]-1,3-benzothiazole
CID 139075943
3-(1,3-benzothiazol-2-yl)-N-(cyclohexylmethyl)propan-1-amine
CID 83961919

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzothiazol-2-yl)ethyl]thian-4-amine?
The IUPAC name of N-[2-(1,3-benzothiazol-2-yl)ethyl]thian-4-amine (CID 43394930) is N-[2-(1,3-benzothiazol-2-yl)ethyl]thian-4-amine.
What is the SMILES notation for N-[2-(1,3-benzothiazol-2-yl)ethyl]thian-4-amine?
The canonical SMILES for N-[2-(1,3-benzothiazol-2-yl)ethyl]thian-4-amine is c1ccc2sc(CCNC3CCSCC3)nc2c1.
What is the InChIKey of N-[2-(1,3-benzothiazol-2-yl)ethyl]thian-4-amine?
The InChIKey is WMUKTJHJCPFQRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2S2/c1-2-4-13-12(3-1)16-14(18-13)5-8-15-11-6-9-17-10-7-11/h1-4,11,15H,5-10H2.
What are the key properties of N-[2-(1,3-benzothiazol-2-yl)ethyl]thian-4-amine?
N-[2-(1,3-benzothiazol-2-yl)ethyl]thian-4-amine has a molecular weight of 278.45 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzothiazol-2-yl)ethyl]thian-4-amine is sourced from PubChem (CID 43394930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).