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

C11H18N2OS — CID 4883473

IUPACN-(1-methoxypropan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
SMILESCOCC(C)Nc1nc2c(s1)CCCC2
InChIInChI=1S/C11H18N2OS/c1-8(7-14-2)12-11-13-9-5-3-4-6-10(9)15-11/h8H,3-7H2,1-2H3,(H,12,13)
InChIKeyXENZAQZFCHNQSB-UHFFFAOYSA-N
MW226.34 g/mol
LogP2.47
Rot. Bonds4

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

N-(1-methoxypropan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine (PubChem CID 4883473) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
PubChem CID4883473
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC NameN-(1-methoxypropan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
SMILESCOCC(C)Nc1nc2c(s1)CCCC2
InChIInChI=1S/C11H18N2OS/c1-8(7-14-2)12-11-13-9-5-3-4-6-10(9)15-11/h8H,3-7H2,1-2H3,(H,12,13)
InChIKeyXENZAQZFCHNQSB-UHFFFAOYSA-N
XLogP2.47
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine?
The IUPAC name of N-(1-methoxypropan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine (CID 4883473) is N-(1-methoxypropan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine?
The canonical SMILES for N-(1-methoxypropan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine is COCC(C)Nc1nc2c(s1)CCCC2.
What is the InChIKey of N-(1-methoxypropan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine?
The InChIKey is XENZAQZFCHNQSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-8(7-14-2)12-11-13-9-5-3-4-6-10(9)15-11/h8H,3-7H2,1-2H3,(H,12,13).
What are the key properties of N-(1-methoxypropan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine?
N-(1-methoxypropan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine has a molecular weight of 226.34 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine is sourced from PubChem (CID 4883473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).