N-[oxan-4-yl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]propan-2-amine

C16H26N2OS — CID 62385438

IUPACN-[oxan-4-yl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]propan-2-amine
SMILESCC(C)NC(c1nc2c(s1)CCCC2)C1CCOCC1
InChIInChI=1S/C16H26N2OS/c1-11(2)17-15(12-7-9-19-10-8-12)16-18-13-5-3-4-6-14(13)20-16/h11-12,15,17H,3-10H2,1-2H3
InChIKeyRBIRSSIZYORZEV-UHFFFAOYSA-N
MW294.46 g/mol
LogP3.49
Rot. Bonds4

About N-[oxan-4-yl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]propan-2-amine

N-[oxan-4-yl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]propan-2-amine (PubChem CID 62385438) has the molecular formula C16H26N2OS and a molecular weight of 294.46 g/mol. Its IUPAC name is N-[oxan-4-yl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[oxan-4-yl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]propan-2-amine
PubChem CID62385438
Molecular FormulaC16H26N2OS
Molecular Weight294.46 g/mol
Exact Mass294.18
IUPAC NameN-[oxan-4-yl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]propan-2-amine
SMILESCC(C)NC(c1nc2c(s1)CCCC2)C1CCOCC1
InChIInChI=1S/C16H26N2OS/c1-11(2)17-15(12-7-9-19-10-8-12)16-18-13-5-3-4-6-14(13)20-16/h11-12,15,17H,3-10H2,1-2H3
InChIKeyRBIRSSIZYORZEV-UHFFFAOYSA-N
XLogP3.49
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.46
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl(thiolan-3-yl)methyl]propan-2-amine
CID 107133304
N-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)-(oxan-4-yl)methyl]propan-2-amine
CID 62385435
N-[cyclopentyl(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]ethanamine
CID 62071955
N-[cyclopentyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]-2-methoxyethanamine
CID 62541901
2-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole;2-propan-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazole
CID 167624671
1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanamine
CID 4311279
cyclopropyl(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)methanamine
CID 61337841
1-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-yl)-N-methylethanamine
CID 5152860
N-[cyclopentyl(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]-2-methoxyethanamine
CID 62542086
N-[(5-methylthiophen-2-yl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]propan-2-amine
CID 61345201
N,2-dimethyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propan-1-amine
CID 61333005
N-[phenyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]propan-2-amine
CID 61334255

Frequently Asked Questions

What is the IUPAC name of N-[oxan-4-yl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]propan-2-amine?
The IUPAC name of N-[oxan-4-yl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]propan-2-amine (CID 62385438) is N-[oxan-4-yl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[oxan-4-yl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]propan-2-amine?
The canonical SMILES for N-[oxan-4-yl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]propan-2-amine is CC(C)NC(c1nc2c(s1)CCCC2)C1CCOCC1.
What is the InChIKey of N-[oxan-4-yl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]propan-2-amine?
The InChIKey is RBIRSSIZYORZEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2OS/c1-11(2)17-15(12-7-9-19-10-8-12)16-18-13-5-3-4-6-14(13)20-16/h11-12,15,17H,3-10H2,1-2H3.
What are the key properties of N-[oxan-4-yl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]propan-2-amine?
N-[oxan-4-yl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]propan-2-amine has a molecular weight of 294.46 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[oxan-4-yl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methyl]propan-2-amine is sourced from PubChem (CID 62385438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).