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

C13H16N3OPS — CID 27331649

IUPACN-[methyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)phosphoryl]pyridin-2-amine
SMILESC[P@@](=O)(Nc1ccccn1)c1nc2c(s1)CCCC2
InChIInChI=1S/C13H16N3OPS/c1-18(17,16-12-8-4-5-9-14-12)13-15-10-6-2-3-7-11(10)19-13/h4-5,8-9H,2-3,6-7H2,1H3,(H,14,16,17)/t18-/m0/s1
InChIKeyVWMKTRRALUBMBL-SFHVURJKSA-N
MW293.33 g/mol
LogP3.06
Rot. Bonds3

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

N-[methyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)phosphoryl]pyridin-2-amine (PubChem CID 27331649) has the molecular formula C13H16N3OPS and a molecular weight of 293.33 g/mol. Its IUPAC name is N-[methyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)phosphoryl]pyridin-2-amine.

Molecular Properties

Compound NameN-[methyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)phosphoryl]pyridin-2-amine
PubChem CID27331649
Molecular FormulaC13H16N3OPS
Molecular Weight293.33 g/mol
Exact Mass293.08
IUPAC NameN-[methyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)phosphoryl]pyridin-2-amine
SMILESC[P@@](=O)(Nc1ccccn1)c1nc2c(s1)CCCC2
InChIInChI=1S/C13H16N3OPS/c1-18(17,16-12-8-4-5-9-14-12)13-15-10-6-2-3-7-11(10)19-13/h4-5,8-9H,2-3,6-7H2,1H3,(H,14,16,17)/t18-/m0/s1
InChIKeyVWMKTRRALUBMBL-SFHVURJKSA-N
XLogP3.06
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

N-[methyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)phosphoryl]naphthalen-2-amine
CID 11864598
4-methyl-N-[methyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)phosphoryl]aniline
CID 2312046
4-iodo-N-[methyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)phosphoryl]aniline
CID 2312759
2,5-dichloro-N-[methyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)phosphoryl]aniline
CID 11864595
N-[methyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)phosphoryl]-3-nitroaniline
CID 11864683
potassium methyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)phosphinate
CID 23722120
N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyridine-2-carboxamide
CID 2439718
2,3-dichloro-N-[phenyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)phosphoryl]aniline
CID 51394550
2-(2-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole
CID 82081689
(3R)-3-pyridin-2-yl-3-pyridin-4-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)propanamide
CID 97284754
5-propan-2-yl-1-pyridin-2-yl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)pyrazole-4-carboxamide
CID 46427351
2-(2-pyridin-2-yl-1,3-thiazol-4-yl)-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)acetamide
CID 16605145

Frequently Asked Questions

What is the IUPAC name of N-[methyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)phosphoryl]pyridin-2-amine?
The IUPAC name of N-[methyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)phosphoryl]pyridin-2-amine (CID 27331649) is N-[methyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)phosphoryl]pyridin-2-amine.
What is the SMILES notation for N-[methyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)phosphoryl]pyridin-2-amine?
The canonical SMILES for N-[methyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)phosphoryl]pyridin-2-amine is C[P@@](=O)(Nc1ccccn1)c1nc2c(s1)CCCC2.
What is the InChIKey of N-[methyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)phosphoryl]pyridin-2-amine?
The InChIKey is VWMKTRRALUBMBL-SFHVURJKSA-N. The full InChI is InChI=1S/C13H16N3OPS/c1-18(17,16-12-8-4-5-9-14-12)13-15-10-6-2-3-7-11(10)19-13/h4-5,8-9H,2-3,6-7H2,1H3,(H,14,16,17)/t18-/m0/s1.
What are the key properties of N-[methyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)phosphoryl]pyridin-2-amine?
N-[methyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)phosphoryl]pyridin-2-amine has a molecular weight of 293.33 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[methyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)phosphoryl]pyridin-2-amine is sourced from PubChem (CID 27331649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).