N-propyl-5,6,7,8-tetrahydrobenzo[f][1,3]benzothiazol-2-amine

C14H18N2S — CID 82548511

IUPACN-propyl-5,6,7,8-tetrahydrobenzo[f][1,3]benzothiazol-2-amine
SMILESCCCNc1nc2cc3c(cc2s1)CCCC3
InChIInChI=1S/C14H18N2S/c1-2-7-15-14-16-12-8-10-5-3-4-6-11(10)9-13(12)17-14/h8-9H,2-7H2,1H3,(H,15,16)
InChIKeyBGEWOUQSKNHLHU-UHFFFAOYSA-N
MW246.38 g/mol
LogP4.00
Rot. Bonds3

About N-propyl-5,6,7,8-tetrahydrobenzo[f][1,3]benzothiazol-2-amine

N-propyl-5,6,7,8-tetrahydrobenzo[f][1,3]benzothiazol-2-amine (PubChem CID 82548511) has the molecular formula C14H18N2S and a molecular weight of 246.38 g/mol. Its IUPAC name is N-propyl-5,6,7,8-tetrahydrobenzo[f][1,3]benzothiazol-2-amine.

Molecular Properties

Compound NameN-propyl-5,6,7,8-tetrahydrobenzo[f][1,3]benzothiazol-2-amine
PubChem CID82548511
Molecular FormulaC14H18N2S
Molecular Weight246.38 g/mol
Exact Mass246.12
IUPAC NameN-propyl-5,6,7,8-tetrahydrobenzo[f][1,3]benzothiazol-2-amine
SMILESCCCNc1nc2cc3c(cc2s1)CCCC3
InChIInChI=1S/C14H18N2S/c1-2-7-15-14-16-12-8-10-5-3-4-6-11(10)9-13(12)17-14/h8-9H,2-7H2,1H3,(H,15,16)
InChIKeyBGEWOUQSKNHLHU-UHFFFAOYSA-N
XLogP4.00
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-phenylethyl)-5,6,7,8-tetrahydrobenzo[f][1,3]benzothiazol-2-amine
CID 82548504
N,5-diethyl-7,8-dihydro-6H-[1,3]thiazolo[5,4-g]quinolin-2-amine
CID 82548907
6-ethylsulfanyl-N-propyl-1,3-benzothiazol-2-amine
CID 82548843
1-[2-(ethylamino)-7,8-dihydro-6H-[1,3]thiazolo[5,4-g]quinolin-5-yl]ethanone
CID 82549104
6-phenoxy-N-propyl-1,3-benzothiazol-2-amine
CID 82549639
5,7-dimethyl-N-propyl-1,3-benzothiazol-2-amine
CID 82549501
6-methyl-N-(2-pyrrolidin-1-ylethyl)-1,3-benzothiazol-2-amine
CID 79142258
ethyl 3-[2-(propylamino)-1,3-benzothiazol-6-yl]propanoate
CID 82548458
6-methyl-N-pentyl-1,3-benzothiazol-2-amine
CID 79142327
N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N',N'-dimethylethane-1,2-diamine
CID 45496447
6-bromo-N-octyl-1,3-benzothiazol-2-amine
CID 115569155
N'-(6-decyl-1,3-benzothiazol-2-yl)ethane-1,2-diamine
CID 169298591

Frequently Asked Questions

What is the IUPAC name of N-propyl-5,6,7,8-tetrahydrobenzo[f][1,3]benzothiazol-2-amine?
The IUPAC name of N-propyl-5,6,7,8-tetrahydrobenzo[f][1,3]benzothiazol-2-amine (CID 82548511) is N-propyl-5,6,7,8-tetrahydrobenzo[f][1,3]benzothiazol-2-amine.
What is the SMILES notation for N-propyl-5,6,7,8-tetrahydrobenzo[f][1,3]benzothiazol-2-amine?
The canonical SMILES for N-propyl-5,6,7,8-tetrahydrobenzo[f][1,3]benzothiazol-2-amine is CCCNc1nc2cc3c(cc2s1)CCCC3.
What is the InChIKey of N-propyl-5,6,7,8-tetrahydrobenzo[f][1,3]benzothiazol-2-amine?
The InChIKey is BGEWOUQSKNHLHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2S/c1-2-7-15-14-16-12-8-10-5-3-4-6-11(10)9-13(12)17-14/h8-9H,2-7H2,1H3,(H,15,16).
What are the key properties of N-propyl-5,6,7,8-tetrahydrobenzo[f][1,3]benzothiazol-2-amine?
N-propyl-5,6,7,8-tetrahydrobenzo[f][1,3]benzothiazol-2-amine has a molecular weight of 246.38 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-5,6,7,8-tetrahydrobenzo[f][1,3]benzothiazol-2-amine is sourced from PubChem (CID 82548511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).