N-(6-chloro-3-pyridinyl)-4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-amine

C17H15ClN4O2S2 — CID 167841857

IUPACN-(6-chloro-3-pyridinyl)-4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-amine
SMILESCS(=O)(=O)N1CCc2cc(-c3csc(Nc4ccc(Cl)nc4)n3)ccc21
InChIInChI=1S/C17H15ClN4O2S2/c1-26(23,24)22-7-6-12-8-11(2-4-15(12)22)14-10-25-17(21-14)20-13-3-5-16(18)19-9-13/h2-5,8-10H,6-7H2,1H3,(H,20,21)
InChIKeyPCJOLVGBOFZADK-UHFFFAOYSA-N
MW406.92 g/mol
LogP3.92
Rot. Bonds4

About N-(6-chloro-3-pyridinyl)-4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-amine

N-(6-chloro-3-pyridinyl)-4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-amine (PubChem CID 167841857) has the molecular formula C17H15ClN4O2S2 and a molecular weight of 406.92 g/mol. Its IUPAC name is N-(6-chloro-3-pyridinyl)-4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(6-chloro-3-pyridinyl)-4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-amine
PubChem CID167841857
Molecular FormulaC17H15ClN4O2S2
Molecular Weight406.92 g/mol
Exact Mass406.03
IUPAC NameN-(6-chloro-3-pyridinyl)-4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-amine
SMILESCS(=O)(=O)N1CCc2cc(-c3csc(Nc4ccc(Cl)nc4)n3)ccc21
InChIInChI=1S/C17H15ClN4O2S2/c1-26(23,24)22-7-6-12-8-11(2-4-15(12)22)14-10-25-17(21-14)20-13-3-5-16(18)19-9-13/h2-5,8-10H,6-7H2,1H3,(H,20,21)
InChIKeyPCJOLVGBOFZADK-UHFFFAOYSA-N
XLogP3.92
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.92
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 1458463
4-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-N-propan-2-yl-1,3-thiazol-2-amine
CID 9343863
N-[4-[4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]phenyl]propanamide
CID 39974919
4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-2-pyridin-4-yl-1,3-thiazole
CID 31263057
4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-N-(2-thiophen-2-ylethyl)-1,3-thiazol-2-amine
CID 24603229
4-(4-chlorophenyl)-N-(6-chloro-3-pyridinyl)-1,3-thiazol-2-amine
CID 166340316
N-[4-[2-[(6-chloro-3-pyridinyl)amino]-1,3-thiazol-4-yl]phenyl]-N-ethylmethanesulfonamide
CID 166184350
N-(6-chloro-3-pyridinyl)-4-[4-(dimethylamino)phenyl]-1,3-thiazol-2-amine
CID 166340336
4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-2-piperidin-4-yl-1,3-thiazole;hydrochloride
CID 119035720
2-(3-fluorophenyl)-4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazole
CID 9356449
6-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]-1-methyl-3,4-dihydroquinolin-2-one
CID 166340362
2-(3-ethoxyphenyl)-4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazole
CID 9356452

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-3-pyridinyl)-4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-amine?
The IUPAC name of N-(6-chloro-3-pyridinyl)-4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-amine (CID 167841857) is N-(6-chloro-3-pyridinyl)-4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(6-chloro-3-pyridinyl)-4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(6-chloro-3-pyridinyl)-4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-amine is CS(=O)(=O)N1CCc2cc(-c3csc(Nc4ccc(Cl)nc4)n3)ccc21.
What is the InChIKey of N-(6-chloro-3-pyridinyl)-4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-amine?
The InChIKey is PCJOLVGBOFZADK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O2S2/c1-26(23,24)22-7-6-12-8-11(2-4-15(12)22)14-10-25-17(21-14)20-13-3-5-16(18)19-9-13/h2-5,8-10H,6-7H2,1H3,(H,20,21).
What are the key properties of N-(6-chloro-3-pyridinyl)-4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-amine?
N-(6-chloro-3-pyridinyl)-4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-amine has a molecular weight of 406.92 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-3-pyridinyl)-4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 167841857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).