N-(2,3-dihydro-1H-inden-5-yl)-3-[[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-methylamino]propanamide

C20H27N3OS — CID 124750744

IUPACN-(2,3-dihydro-1H-inden-5-yl)-3-[[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-methylamino]propanamide
SMILESCc1nc([C@H](C)N(C)CCC(=O)Nc2ccc3c(c2)CCC3)c(C)s1
InChIInChI=1S/C20H27N3OS/c1-13(20-14(2)25-15(3)21-20)23(4)11-10-19(24)22-18-9-8-16-6-5-7-17(16)12-18/h8-9,12-13H,5-7,10-11H2,1-4H3,(H,22,24)/t13-/m0/s1
InChIKeyDUFIKNCXDNLWQS-ZDUSSCGKSA-N
MW357.52 g/mol
LogP4.27
Rot. Bonds6

About N-(2,3-dihydro-1H-inden-5-yl)-3-[[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-methylamino]propanamide

N-(2,3-dihydro-1H-inden-5-yl)-3-[[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-methylamino]propanamide (PubChem CID 124750744) has the molecular formula C20H27N3OS and a molecular weight of 357.52 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-5-yl)-3-[[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-methylamino]propanamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-5-yl)-3-[[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-methylamino]propanamide
PubChem CID124750744
Molecular FormulaC20H27N3OS
Molecular Weight357.52 g/mol
Exact Mass357.19
IUPAC NameN-(2,3-dihydro-1H-inden-5-yl)-3-[[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-methylamino]propanamide
SMILESCc1nc([C@H](C)N(C)CCC(=O)Nc2ccc3c(c2)CCC3)c(C)s1
InChIInChI=1S/C20H27N3OS/c1-13(20-14(2)25-15(3)21-20)23(4)11-10-19(24)22-18-9-8-16-6-5-7-17(16)12-18/h8-9,12-13H,5-7,10-11H2,1-4H3,(H,22,24)/t13-/m0/s1
InChIKeyDUFIKNCXDNLWQS-ZDUSSCGKSA-N
XLogP4.27
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.52
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-3-[[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-methylamino]propanamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-3-[[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-methylamino]propanamide (CID 124750744) is N-(2,3-dihydro-1H-inden-5-yl)-3-[[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-methylamino]propanamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-5-yl)-3-[[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-methylamino]propanamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-5-yl)-3-[[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-methylamino]propanamide is Cc1nc([C@H](C)N(C)CCC(=O)Nc2ccc3c(c2)CCC3)c(C)s1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-5-yl)-3-[[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-methylamino]propanamide?
The InChIKey is DUFIKNCXDNLWQS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H27N3OS/c1-13(20-14(2)25-15(3)21-20)23(4)11-10-19(24)22-18-9-8-16-6-5-7-17(16)12-18/h8-9,12-13H,5-7,10-11H2,1-4H3,(H,22,24)/t13-/m0/s1.
What are the key properties of N-(2,3-dihydro-1H-inden-5-yl)-3-[[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-methylamino]propanamide?
N-(2,3-dihydro-1H-inden-5-yl)-3-[[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-methylamino]propanamide has a molecular weight of 357.52 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-5-yl)-3-[[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-methylamino]propanamide is sourced from PubChem (CID 124750744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).