N,5-dimethyl-4-[1-(2-methylphenyl)sulfinyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-amine

C20H21N3OS2 — CID 144711679

IUPACN,5-dimethyl-4-[1-(2-methylphenyl)sulfinyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-amine
SMILESCNc1nc(-c2ccc3c(c2)CCN3S(=O)c2ccccc2C)c(C)s1
InChIInChI=1S/C20H21N3OS2/c1-13-6-4-5-7-18(13)26(24)23-11-10-15-12-16(8-9-17(15)23)19-14(2)25-20(21-3)22-19/h4-9,12H,10-11H2,1-3H3,(H,21,22)
InChIKeyZPGVNENDSJTWIN-UHFFFAOYSA-N
MW383.54 g/mol
LogP4.55
Rot. Bonds4

About N,5-dimethyl-4-[1-(2-methylphenyl)sulfinyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-amine

N,5-dimethyl-4-[1-(2-methylphenyl)sulfinyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-amine (PubChem CID 144711679) has the molecular formula C20H21N3OS2 and a molecular weight of 383.54 g/mol. Its IUPAC name is N,5-dimethyl-4-[1-(2-methylphenyl)sulfinyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN,5-dimethyl-4-[1-(2-methylphenyl)sulfinyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-amine
PubChem CID144711679
Molecular FormulaC20H21N3OS2
Molecular Weight383.54 g/mol
Exact Mass383.11
IUPAC NameN,5-dimethyl-4-[1-(2-methylphenyl)sulfinyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-amine
SMILESCNc1nc(-c2ccc3c(c2)CCN3S(=O)c2ccccc2C)c(C)s1
InChIInChI=1S/C20H21N3OS2/c1-13-6-4-5-7-18(13)26(24)23-11-10-15-12-16(8-9-17(15)23)19-14(2)25-20(21-3)22-19/h4-9,12H,10-11H2,1-3H3,(H,21,22)
InChIKeyZPGVNENDSJTWIN-UHFFFAOYSA-N
XLogP4.55
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.54
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N,5-dimethyl-4-[1-(2-methylphenyl)sulfinyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-amine with MolForge

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Related Compounds

ethane;N-[5-methyl-4-[1-(2-methylphenyl)sulfinyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-(4-methylphenyl)acetamide
CID 144711757
2-(2-chlorophenyl)-N-[5-methyl-4-[1-(2-methylphenyl)sulfinyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide
CID 144711770
[5-[5-methyl-2-(methylamino)-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]-(3-methylphenyl)methanone
CID 1450308
N,5-dimethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-amine
CID 39359852
3,3-dimethyl-1-[5-[5-methyl-2-(methylamino)-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]butan-1-one
CID 1450984
2-(4-chlorophenyl)-N-[5-methyl-4-[1-(2-methylphenyl)sulfanyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide;ethane
CID 144711601
N-[5-methyl-4-[1-(2-methylphenyl)sulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2-pyridin-4-ylacetamide
CID 90448764
N-[5-methyl-4-[1-(2-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]cyclobutanecarboxamide
CID 1451102
N-[4-(1-acetyl-2,3-dihydroindol-5-yl)-5-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
CID 1458252
N-[5-methyl-4-[1-(2-methylpropanoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]naphthalene-2-carboxamide
CID 1451021
1-[5-[5-methyl-2-(prop-2-enylamino)-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]ethanone
CID 17453132
N-[5-methyl-4-[1-(4-methylbenzoyl)-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]-2,2-diphenylacetamide
CID 2064430

Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-4-[1-(2-methylphenyl)sulfinyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-amine?
The IUPAC name of N,5-dimethyl-4-[1-(2-methylphenyl)sulfinyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-amine (CID 144711679) is N,5-dimethyl-4-[1-(2-methylphenyl)sulfinyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for N,5-dimethyl-4-[1-(2-methylphenyl)sulfinyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-amine?
The canonical SMILES for N,5-dimethyl-4-[1-(2-methylphenyl)sulfinyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-amine is CNc1nc(-c2ccc3c(c2)CCN3S(=O)c2ccccc2C)c(C)s1.
What is the InChIKey of N,5-dimethyl-4-[1-(2-methylphenyl)sulfinyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-amine?
The InChIKey is ZPGVNENDSJTWIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3OS2/c1-13-6-4-5-7-18(13)26(24)23-11-10-15-12-16(8-9-17(15)23)19-14(2)25-20(21-3)22-19/h4-9,12H,10-11H2,1-3H3,(H,21,22).
What are the key properties of N,5-dimethyl-4-[1-(2-methylphenyl)sulfinyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-amine?
N,5-dimethyl-4-[1-(2-methylphenyl)sulfinyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-amine has a molecular weight of 383.54 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-4-[1-(2-methylphenyl)sulfinyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 144711679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).