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

C14H24N2S — CID 61332609

IUPACN,3-dimethyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pentan-2-amine
SMILESCCC(C)C(C)(NC)c1nc2c(s1)CCCC2
InChIInChI=1S/C14H24N2S/c1-5-10(2)14(3,15-4)13-16-11-8-6-7-9-12(11)17-13/h10,15H,5-9H2,1-4H3
InChIKeyXBPVWKHQWPOPJM-UHFFFAOYSA-N
MW252.43 g/mol
LogP3.50
Rot. Bonds4

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

N,3-dimethyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pentan-2-amine (PubChem CID 61332609) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is N,3-dimethyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pentan-2-amine.

Molecular Properties

Compound NameN,3-dimethyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pentan-2-amine
PubChem CID61332609
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC NameN,3-dimethyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pentan-2-amine
SMILESCCC(C)C(C)(NC)c1nc2c(s1)CCCC2
InChIInChI=1S/C14H24N2S/c1-5-10(2)14(3,15-4)13-16-11-8-6-7-9-12(11)17-13/h10,15H,5-9H2,1-4H3
InChIKeyXBPVWKHQWPOPJM-UHFFFAOYSA-N
XLogP3.50
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-yl)butan-2-amine
CID 63526067
2,6-dimethyl-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)heptan-4-amine
CID 114868544
2-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-yl)propan-2-amine
CID 55222989
2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-(2-methoxyethyl)-3-methylbutan-2-amine
CID 62541934
5-methyl-N-propyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)hexan-2-amine
CID 63405307
1-cyclopropyl-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methylbutan-1-amine
CID 114276076
2-methyl-N-propyl-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pentan-3-amine
CID 61333814
N-[5-methyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)hexan-2-yl]cyclopropanamine
CID 61334892
3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-methyl-N-propylpentan-3-amine
CID 61334992
N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-methylpentan-2-yl]cyclopropanamine
CID 61334100
3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-propylhexan-3-amine
CID 114079947
2-methyl-N-propan-2-yl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butan-1-amine
CID 61335438

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pentan-2-amine?
The IUPAC name of N,3-dimethyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pentan-2-amine (CID 61332609) is N,3-dimethyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pentan-2-amine.
What is the SMILES notation for N,3-dimethyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pentan-2-amine?
The canonical SMILES for N,3-dimethyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pentan-2-amine is CCC(C)C(C)(NC)c1nc2c(s1)CCCC2.
What is the InChIKey of N,3-dimethyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pentan-2-amine?
The InChIKey is XBPVWKHQWPOPJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S/c1-5-10(2)14(3,15-4)13-16-11-8-6-7-9-12(11)17-13/h10,15H,5-9H2,1-4H3.
What are the key properties of N,3-dimethyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pentan-2-amine?
N,3-dimethyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pentan-2-amine has a molecular weight of 252.43 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pentan-2-amine is sourced from PubChem (CID 61332609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).