10-[(2R)-1-(diethylamino)propan-2-yl]phenothiazine-2-carboximidamide;hydrochloride

C20H27ClN4S — CID 70356780

IUPAC10-[(2R)-1-(diethylamino)propan-2-yl]phenothiazine-2-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1ccc2c(c1)N([C@H](C)CN(CC)CC)c1ccccc1S2
InChIInChI=1S/C20H26N4S.ClH/c1-4-23(5-2)13-14(3)24-16-8-6-7-9-18(16)25-19-11-10-15(20(21)22)12-17(19)24;/h6-12,14H,4-5,13H2,1-3H3,(H3,21,22);1H/t14-;/m1./s1
InChIKeyQJUZRKVFIOSYAS-PFEQFJNWSA-N
MW390.98 g/mol
LogP4.73
Rot. Bonds6

About 10-[(2R)-1-(diethylamino)propan-2-yl]phenothiazine-2-carboximidamide;hydrochloride

10-[(2R)-1-(diethylamino)propan-2-yl]phenothiazine-2-carboximidamide;hydrochloride (PubChem CID 70356780) has the molecular formula C20H27ClN4S and a molecular weight of 390.98 g/mol. Its IUPAC name is 10-[(2R)-1-(diethylamino)propan-2-yl]phenothiazine-2-carboximidamide;hydrochloride.

Molecular Properties

Compound Name10-[(2R)-1-(diethylamino)propan-2-yl]phenothiazine-2-carboximidamide;hydrochloride
PubChem CID70356780
Molecular FormulaC20H27ClN4S
Molecular Weight390.98 g/mol
Exact Mass390.16
IUPAC Name10-[(2R)-1-(diethylamino)propan-2-yl]phenothiazine-2-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1ccc2c(c1)N([C@H](C)CN(CC)CC)c1ccccc1S2
InChIInChI=1S/C20H26N4S.ClH/c1-4-23(5-2)13-14(3)24-16-8-6-7-9-18(16)25-19-11-10-15(20(21)22)12-17(19)24;/h6-12,14H,4-5,13H2,1-3H3,(H3,21,22);1H/t14-;/m1./s1
InChIKeyQJUZRKVFIOSYAS-PFEQFJNWSA-N
XLogP4.73
TPSA56.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.98
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 10-[(2R)-1-(diethylamino)propan-2-yl]phenothiazine-2-carboximidamide;hydrochloride?
The IUPAC name of 10-[(2R)-1-(diethylamino)propan-2-yl]phenothiazine-2-carboximidamide;hydrochloride (CID 70356780) is 10-[(2R)-1-(diethylamino)propan-2-yl]phenothiazine-2-carboximidamide;hydrochloride.
What is the SMILES notation for 10-[(2R)-1-(diethylamino)propan-2-yl]phenothiazine-2-carboximidamide;hydrochloride?
The canonical SMILES for 10-[(2R)-1-(diethylamino)propan-2-yl]phenothiazine-2-carboximidamide;hydrochloride is Cl.[H]/N=C(\N)c1ccc2c(c1)N([C@H](C)CN(CC)CC)c1ccccc1S2.
What is the InChIKey of 10-[(2R)-1-(diethylamino)propan-2-yl]phenothiazine-2-carboximidamide;hydrochloride?
The InChIKey is QJUZRKVFIOSYAS-PFEQFJNWSA-N. The full InChI is InChI=1S/C20H26N4S.ClH/c1-4-23(5-2)13-14(3)24-16-8-6-7-9-18(16)25-19-11-10-15(20(21)22)12-17(19)24;/h6-12,14H,4-5,13H2,1-3H3,(H3,21,22);1H/t14-;/m1./s1.
What are the key properties of 10-[(2R)-1-(diethylamino)propan-2-yl]phenothiazine-2-carboximidamide;hydrochloride?
10-[(2R)-1-(diethylamino)propan-2-yl]phenothiazine-2-carboximidamide;hydrochloride has a molecular weight of 390.98 g/mol, XLogP of 4.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[(2R)-1-(diethylamino)propan-2-yl]phenothiazine-2-carboximidamide;hydrochloride is sourced from PubChem (CID 70356780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).