(3,4-diaminophenyl)-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methanone

C13H16N4OS — CID 13151153

IUPAC(3,4-diaminophenyl)-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methanone
SMILESCc1nc(N(C)C)sc1C(=O)c1ccc(N)c(N)c1
InChIInChI=1S/C13H16N4OS/c1-7-12(19-13(16-7)17(2)3)11(18)8-4-5-9(14)10(15)6-8/h4-6H,14-15H2,1-3H3
InChIKeyOJHDUXJVINXJLD-UHFFFAOYSA-N
MW276.37 g/mol
LogP1.91
Rot. Bonds3

About (3,4-diaminophenyl)-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methanone

(3,4-diaminophenyl)-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methanone (PubChem CID 13151153) has the molecular formula C13H16N4OS and a molecular weight of 276.37 g/mol. Its IUPAC name is (3,4-diaminophenyl)-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methanone.

Molecular Properties

Compound Name(3,4-diaminophenyl)-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methanone
PubChem CID13151153
Molecular FormulaC13H16N4OS
Molecular Weight276.37 g/mol
Exact Mass276.10
IUPAC Name(3,4-diaminophenyl)-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methanone
SMILESCc1nc(N(C)C)sc1C(=O)c1ccc(N)c(N)c1
InChIInChI=1S/C13H16N4OS/c1-7-12(19-13(16-7)17(2)3)11(18)8-4-5-9(14)10(15)6-8/h4-6H,14-15H2,1-3H3
InChIKeyOJHDUXJVINXJLD-UHFFFAOYSA-N
XLogP1.91
TPSA85.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.37
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(4-aminophenyl)-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methanone
CID 70585717
4-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]benzene-1,2-diamine
CID 20564387
2-(dimethylamino)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
CID 8893174
2-(dimethylamino)-4-methyl-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 75437740
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(dimethylamino)-4-methyl-1,3-thiazole-5-carboxamide
CID 75396049
3-amino-4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]benzamide
CID 63737454
2-[2-(4-aminophenyl)-2-oxoethyl]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 82066992
N-[(2-chloro-5-nitrophenyl)methyl]-2-(dimethylamino)-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 75396466
(4-amino-3-methylphenyl)-(3-chlorothiophen-2-yl)methanone
CID 80531509
4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide
CID 30134205
4-amino-2-(dimethylamino)-N-methyl-N-[(3-methylphenyl)methyl]-1,3-thiazole-5-carboxamide
CID 116663126
4-amino-2-(dimethylamino)-N-(4-fluoro-3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 116665584

Frequently Asked Questions

What is the IUPAC name of (3,4-diaminophenyl)-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methanone?
The IUPAC name of (3,4-diaminophenyl)-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methanone (CID 13151153) is (3,4-diaminophenyl)-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methanone.
What is the SMILES notation for (3,4-diaminophenyl)-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methanone?
The canonical SMILES for (3,4-diaminophenyl)-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methanone is Cc1nc(N(C)C)sc1C(=O)c1ccc(N)c(N)c1.
What is the InChIKey of (3,4-diaminophenyl)-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methanone?
The InChIKey is OJHDUXJVINXJLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS/c1-7-12(19-13(16-7)17(2)3)11(18)8-4-5-9(14)10(15)6-8/h4-6H,14-15H2,1-3H3.
What are the key properties of (3,4-diaminophenyl)-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methanone?
(3,4-diaminophenyl)-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methanone has a molecular weight of 276.37 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-diaminophenyl)-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methanone is sourced from PubChem (CID 13151153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).