methyl 9-[4-(dimethylamino)anilino]-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate

C19H18N6OS — CID 71529614

IUPACmethyl 9-[4-(dimethylamino)anilino]-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate
SMILES[H]/N=C(\OC)c1nc2ccc3ncnc(Nc4ccc(N(C)C)cc4)c3c2s1
InChIInChI=1S/C19H18N6OS/c1-25(2)12-6-4-11(5-7-12)23-18-15-13(21-10-22-18)8-9-14-16(15)27-19(24-14)17(20)26-3/h4-10,20H,1-3H3,(H,21,22,23)/b20-17-
InChIKeyQISBQDNTYJNGHX-JZJYNLBNSA-N
MW378.46 g/mol
LogP4.02
Rot. Bonds4

About methyl 9-[4-(dimethylamino)anilino]-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate

methyl 9-[4-(dimethylamino)anilino]-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate (PubChem CID 71529614) has the molecular formula C19H18N6OS and a molecular weight of 378.46 g/mol. Its IUPAC name is methyl 9-[4-(dimethylamino)anilino]-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate.

Molecular Properties

Compound Namemethyl 9-[4-(dimethylamino)anilino]-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate
PubChem CID71529614
Molecular FormulaC19H18N6OS
Molecular Weight378.46 g/mol
Exact Mass378.13
IUPAC Namemethyl 9-[4-(dimethylamino)anilino]-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate
SMILES[H]/N=C(\OC)c1nc2ccc3ncnc(Nc4ccc(N(C)C)cc4)c3c2s1
InChIInChI=1S/C19H18N6OS/c1-25(2)12-6-4-11(5-7-12)23-18-15-13(21-10-22-18)8-9-14-16(15)27-19(24-14)17(20)26-3/h4-10,20H,1-3H3,(H,21,22,23)/b20-17-
InChIKeyQISBQDNTYJNGHX-JZJYNLBNSA-N
XLogP4.02
TPSA87.02 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.46
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

methyl 9-anilino-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate
CID 71529598
ethyl 9-(1,3-benzodioxol-5-ylamino)-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate
CID 71529626
ethane;methyl 9-(4-ethoxy-2-fluoroanilino)-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate
CID 176978595
9-(3-chloro-4-fluoroanilino)-N,N-dimethyl-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidamide
CID 71529680
ethyl 9-(2-chloro-4-fluoro-5-methylanilino)-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate;ethyl 9-(2-chloro-4-methylanilino)-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate
CID 164948862
3-methylsulfonylpropyl 9-(2-chloro-4,5-difluoroanilino)-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate
CID 167814081
9-(4-methoxyanilino)-N'-(2-piperidin-1-ylethyl)-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidamide
CID 71529722
4-[(2-isocyano-[1,3]thiazolo[5,4-f]quinazolin-9-yl)amino]phenol
CID 123740941
9-(2,4-dimethoxyanilino)-[1,3]thiazolo[5,4-f]quinazoline-2-carboxamide
CID 118352762
N-(2,4-dichlorophenyl)-2-methyl-[1,3]thiazolo[5,4-f]quinazolin-9-amine
CID 142719360
4-N,4-N-dimethyl-1-N-[6-methyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]benzene-1,4-diamine
CID 21012140
N-(3,4-dichlorophenyl)-2-isocyano-[1,3]thiazolo[5,4-f]quinazolin-9-amine
CID 123841135

Frequently Asked Questions

What is the IUPAC name of methyl 9-[4-(dimethylamino)anilino]-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate?
The IUPAC name of methyl 9-[4-(dimethylamino)anilino]-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate (CID 71529614) is methyl 9-[4-(dimethylamino)anilino]-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate.
What is the SMILES notation for methyl 9-[4-(dimethylamino)anilino]-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate?
The canonical SMILES for methyl 9-[4-(dimethylamino)anilino]-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate is [H]/N=C(\OC)c1nc2ccc3ncnc(Nc4ccc(N(C)C)cc4)c3c2s1.
What is the InChIKey of methyl 9-[4-(dimethylamino)anilino]-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate?
The InChIKey is QISBQDNTYJNGHX-JZJYNLBNSA-N. The full InChI is InChI=1S/C19H18N6OS/c1-25(2)12-6-4-11(5-7-12)23-18-15-13(21-10-22-18)8-9-14-16(15)27-19(24-14)17(20)26-3/h4-10,20H,1-3H3,(H,21,22,23)/b20-17-.
What are the key properties of methyl 9-[4-(dimethylamino)anilino]-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate?
methyl 9-[4-(dimethylamino)anilino]-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate has a molecular weight of 378.46 g/mol, XLogP of 4.02, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 9-[4-(dimethylamino)anilino]-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate is sourced from PubChem (CID 71529614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).