N-methyl-4-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-amine

C14H17N3O2S2 — CID 7436682

IUPACN-methyl-4-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-amine
SMILESCNc1nc(-c2ccc3c(c2)C[C@H](C)N3S(C)(=O)=O)cs1
InChIInChI=1S/C14H17N3O2S2/c1-9-6-11-7-10(12-8-20-14(15-2)16-12)4-5-13(11)17(9)21(3,18)19/h4-5,7-9H,6H2,1-3H3,(H,15,16)/t9-/m0/s1
InChIKeyGCDSSQJUUAPTEC-VIFPVBQESA-N
MW323.44 g/mol
LogP2.56
Rot. Bonds3

About N-methyl-4-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-amine

N-methyl-4-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-amine (PubChem CID 7436682) has the molecular formula C14H17N3O2S2 and a molecular weight of 323.44 g/mol. Its IUPAC name is N-methyl-4-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-methyl-4-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-amine
PubChem CID7436682
Molecular FormulaC14H17N3O2S2
Molecular Weight323.44 g/mol
Exact Mass323.08
IUPAC NameN-methyl-4-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-amine
SMILESCNc1nc(-c2ccc3c(c2)C[C@H](C)N3S(C)(=O)=O)cs1
InChIInChI=1S/C14H17N3O2S2/c1-9-6-11-7-10(12-8-20-14(15-2)16-12)4-5-13(11)17(9)21(3,18)19/h4-5,7-9H,6H2,1-3H3,(H,15,16)/t9-/m0/s1
InChIKeyGCDSSQJUUAPTEC-VIFPVBQESA-N
XLogP2.56
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide
CID 92969218
N-[4-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]propanamide
CID 1458577
2-methyl-N-[4-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]propanamide
CID 3707611
4-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)-N-prop-2-enyl-1,3-thiazol-2-amine
CID 17408245
N-[4-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]butanamide
CID 1458429
N-[(4-fluorophenyl)methyl]-4-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-amine
CID 24505639
N-[4-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 1458548
4-[4-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]phenol
CID 135913068
2-cyclohexyl-N-[4-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]acetamide
CID 3226518
2-benzyl-4-[(2R)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazole
CID 9174201
2-(3-methoxyphenyl)-4-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazole
CID 17473063
2-methyl-1-methylsulfonyl-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-2,3-dihydroindole-5-carboxamide
CID 43055333

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-amine?
The IUPAC name of N-methyl-4-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-amine (CID 7436682) is N-methyl-4-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-methyl-4-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-amine?
The canonical SMILES for N-methyl-4-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-amine is CNc1nc(-c2ccc3c(c2)C[C@H](C)N3S(C)(=O)=O)cs1.
What is the InChIKey of N-methyl-4-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-amine?
The InChIKey is GCDSSQJUUAPTEC-VIFPVBQESA-N. The full InChI is InChI=1S/C14H17N3O2S2/c1-9-6-11-7-10(12-8-20-14(15-2)16-12)4-5-13(11)17(9)21(3,18)19/h4-5,7-9H,6H2,1-3H3,(H,15,16)/t9-/m0/s1.
What are the key properties of N-methyl-4-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-amine?
N-methyl-4-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-amine has a molecular weight of 323.44 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 7436682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).