N,2-dimethyl-1-[4-(10-methylphenothiazin-2-yl)-1,3-thiazol-2-yl]propan-1-amine

C21H23N3S2 — CID 67214839

IUPACN,2-dimethyl-1-[4-(10-methylphenothiazin-2-yl)-1,3-thiazol-2-yl]propan-1-amine
SMILESCNC(c1nc(-c2ccc3c(c2)N(C)c2ccccc2S3)cs1)C(C)C
InChIInChI=1S/C21H23N3S2/c1-13(2)20(22-3)21-23-15(12-25-21)14-9-10-19-17(11-14)24(4)16-7-5-6-8-18(16)26-19/h5-13,20,22H,1-4H3
InChIKeyDBZHLUINCRFLJY-UHFFFAOYSA-N
MW381.57 g/mol
LogP5.96
Rot. Bonds4

About N,2-dimethyl-1-[4-(10-methylphenothiazin-2-yl)-1,3-thiazol-2-yl]propan-1-amine

N,2-dimethyl-1-[4-(10-methylphenothiazin-2-yl)-1,3-thiazol-2-yl]propan-1-amine (PubChem CID 67214839) has the molecular formula C21H23N3S2 and a molecular weight of 381.57 g/mol. Its IUPAC name is N,2-dimethyl-1-[4-(10-methylphenothiazin-2-yl)-1,3-thiazol-2-yl]propan-1-amine.

Molecular Properties

Compound NameN,2-dimethyl-1-[4-(10-methylphenothiazin-2-yl)-1,3-thiazol-2-yl]propan-1-amine
PubChem CID67214839
Molecular FormulaC21H23N3S2
Molecular Weight381.57 g/mol
Exact Mass381.13
IUPAC NameN,2-dimethyl-1-[4-(10-methylphenothiazin-2-yl)-1,3-thiazol-2-yl]propan-1-amine
SMILESCNC(c1nc(-c2ccc3c(c2)N(C)c2ccccc2S3)cs1)C(C)C
InChIInChI=1S/C21H23N3S2/c1-13(2)20(22-3)21-23-15(12-25-21)14-9-10-19-17(11-14)24(4)16-7-5-6-8-18(16)26-19/h5-13,20,22H,1-4H3
InChIKeyDBZHLUINCRFLJY-UHFFFAOYSA-N
XLogP5.96
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.57
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_thio_666_A(13)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-1-[4-(10-methylphenothiazin-2-yl)-1,3-thiazol-2-yl]propan-1-amine?
The IUPAC name of N,2-dimethyl-1-[4-(10-methylphenothiazin-2-yl)-1,3-thiazol-2-yl]propan-1-amine (CID 67214839) is N,2-dimethyl-1-[4-(10-methylphenothiazin-2-yl)-1,3-thiazol-2-yl]propan-1-amine.
What is the SMILES notation for N,2-dimethyl-1-[4-(10-methylphenothiazin-2-yl)-1,3-thiazol-2-yl]propan-1-amine?
The canonical SMILES for N,2-dimethyl-1-[4-(10-methylphenothiazin-2-yl)-1,3-thiazol-2-yl]propan-1-amine is CNC(c1nc(-c2ccc3c(c2)N(C)c2ccccc2S3)cs1)C(C)C.
What is the InChIKey of N,2-dimethyl-1-[4-(10-methylphenothiazin-2-yl)-1,3-thiazol-2-yl]propan-1-amine?
The InChIKey is DBZHLUINCRFLJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3S2/c1-13(2)20(22-3)21-23-15(12-25-21)14-9-10-19-17(11-14)24(4)16-7-5-6-8-18(16)26-19/h5-13,20,22H,1-4H3.
What are the key properties of N,2-dimethyl-1-[4-(10-methylphenothiazin-2-yl)-1,3-thiazol-2-yl]propan-1-amine?
N,2-dimethyl-1-[4-(10-methylphenothiazin-2-yl)-1,3-thiazol-2-yl]propan-1-amine has a molecular weight of 381.57 g/mol, XLogP of 5.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-1-[4-(10-methylphenothiazin-2-yl)-1,3-thiazol-2-yl]propan-1-amine is sourced from PubChem (CID 67214839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).