2-methyl-N-propyl-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pentan-3-amine

C16H28N2S — CID 61333814

IUPAC2-methyl-N-propyl-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pentan-3-amine
SMILESCCCNC(CC)(c1nc2c(s1)CCCC2)C(C)C
InChIInChI=1S/C16H28N2S/c1-5-11-17-16(6-2,12(3)4)15-18-13-9-7-8-10-14(13)19-15/h12,17H,5-11H2,1-4H3
InChIKeyCNQUISYFCUTXPF-UHFFFAOYSA-N
MW280.48 g/mol
LogP4.28
Rot. Bonds6

About 2-methyl-N-propyl-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pentan-3-amine

2-methyl-N-propyl-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pentan-3-amine (PubChem CID 61333814) has the molecular formula C16H28N2S and a molecular weight of 280.48 g/mol. Its IUPAC name is 2-methyl-N-propyl-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pentan-3-amine.

Molecular Properties

Compound Name2-methyl-N-propyl-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pentan-3-amine
PubChem CID61333814
Molecular FormulaC16H28N2S
Molecular Weight280.48 g/mol
Exact Mass280.20
IUPAC Name2-methyl-N-propyl-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pentan-3-amine
SMILESCCCNC(CC)(c1nc2c(s1)CCCC2)C(C)C
InChIInChI=1S/C16H28N2S/c1-5-11-17-16(6-2,12(3)4)15-18-13-9-7-8-10-14(13)19-15/h12,17H,5-11H2,1-4H3
InChIKeyCNQUISYFCUTXPF-UHFFFAOYSA-N
XLogP4.28
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.48
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-methyl-N-propylpentan-3-amine
CID 61334992
5-methyl-N-propyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)hexan-2-amine
CID 63405307
3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-propylhexan-3-amine
CID 114079947
2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-propylheptan-2-amine
CID 80558649
2-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-yl)butan-2-amine
CID 63526067
N,3-dimethyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pentan-2-amine
CID 61332609
2,6-dimethyl-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)heptan-4-amine
CID 114868544
2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-(2-methoxyethyl)-3-methylbutan-2-amine
CID 62541934
2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-(2-methoxyethyl)butan-2-amine
CID 62542108
2-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-yl)propan-2-amine
CID 55222989
N-(2-methoxyethyl)-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)heptan-2-amine
CID 80556446
N-[5-methyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)hexan-2-yl]cyclopropanamine
CID 61334892

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-propyl-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pentan-3-amine?
The IUPAC name of 2-methyl-N-propyl-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pentan-3-amine (CID 61333814) is 2-methyl-N-propyl-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pentan-3-amine.
What is the SMILES notation for 2-methyl-N-propyl-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pentan-3-amine?
The canonical SMILES for 2-methyl-N-propyl-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pentan-3-amine is CCCNC(CC)(c1nc2c(s1)CCCC2)C(C)C.
What is the InChIKey of 2-methyl-N-propyl-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pentan-3-amine?
The InChIKey is CNQUISYFCUTXPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2S/c1-5-11-17-16(6-2,12(3)4)15-18-13-9-7-8-10-14(13)19-15/h12,17H,5-11H2,1-4H3.
What are the key properties of 2-methyl-N-propyl-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pentan-3-amine?
2-methyl-N-propyl-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pentan-3-amine has a molecular weight of 280.48 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-propyl-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pentan-3-amine is sourced from PubChem (CID 61333814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).