N-(thiadiazol-4-ylmethyl)-2,3-dihydro-1H-inden-5-amine

C12H13N3S — CID 43663884

IUPACN-(thiadiazol-4-ylmethyl)-2,3-dihydro-1H-inden-5-amine
SMILESc1cc2c(cc1NCc1csnn1)CCC2
InChIInChI=1S/C12H13N3S/c1-2-9-4-5-11(6-10(9)3-1)13-7-12-8-16-15-14-12/h4-6,8,13H,1-3,7H2
InChIKeyQWEWEEOXENKQJF-UHFFFAOYSA-N
MW231.32 g/mol
LogP2.64
Rot. Bonds3

About N-(thiadiazol-4-ylmethyl)-2,3-dihydro-1H-inden-5-amine

N-(thiadiazol-4-ylmethyl)-2,3-dihydro-1H-inden-5-amine (PubChem CID 43663884) has the molecular formula C12H13N3S and a molecular weight of 231.32 g/mol. Its IUPAC name is N-(thiadiazol-4-ylmethyl)-2,3-dihydro-1H-inden-5-amine.

Molecular Properties

Compound NameN-(thiadiazol-4-ylmethyl)-2,3-dihydro-1H-inden-5-amine
PubChem CID43663884
Molecular FormulaC12H13N3S
Molecular Weight231.32 g/mol
Exact Mass231.08
IUPAC NameN-(thiadiazol-4-ylmethyl)-2,3-dihydro-1H-inden-5-amine
SMILESc1cc2c(cc1NCc1csnn1)CCC2
InChIInChI=1S/C12H13N3S/c1-2-9-4-5-11(6-10(9)3-1)13-7-12-8-16-15-14-12/h4-6,8,13H,1-3,7H2
InChIKeyQWEWEEOXENKQJF-UHFFFAOYSA-N
XLogP2.64
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-4-methyl-N-(thiadiazol-4-ylmethyl)aniline
CID 43663810
N-[(6-methyl-2-pyridinyl)methyl]-2,3-dihydro-1H-inden-5-amine
CID 79268037
N-(1,3-thiazol-2-ylmethyl)-2,3-dihydro-1H-inden-5-amine
CID 63221653
4-methoxy-N-(thiadiazol-4-ylmethyl)aniline
CID 43663944
4-chloro-3-methoxy-N-(thiadiazol-4-ylmethyl)aniline
CID 107272151
4-fluoro-3-nitro-N-(thiadiazol-4-ylmethyl)aniline
CID 43719364
N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2,3-dihydro-1H-inden-5-amine
CID 43524715
2-N,2-N-dimethyl-5-N-(thiadiazol-4-ylmethyl)pyridine-2,5-diamine
CID 43690649
N'-(2,3-dihydro-1H-inden-5-yl)-N-methylmethanediamine
CID 115226489
N-[[4-(methylamino)phenyl]methyl]-5,6,7,8-tetrahydronaphthalen-2-amine
CID 115212622
4-[(2,3-dihydro-1H-inden-5-ylamino)methyl]-2-fluorophenol
CID 107685267
N-[(4-cyclopropylphenyl)methyl]-2,3-dihydro-1H-inden-5-amine
CID 79968934

Frequently Asked Questions

What is the IUPAC name of N-(thiadiazol-4-ylmethyl)-2,3-dihydro-1H-inden-5-amine?
The IUPAC name of N-(thiadiazol-4-ylmethyl)-2,3-dihydro-1H-inden-5-amine (CID 43663884) is N-(thiadiazol-4-ylmethyl)-2,3-dihydro-1H-inden-5-amine.
What is the SMILES notation for N-(thiadiazol-4-ylmethyl)-2,3-dihydro-1H-inden-5-amine?
The canonical SMILES for N-(thiadiazol-4-ylmethyl)-2,3-dihydro-1H-inden-5-amine is c1cc2c(cc1NCc1csnn1)CCC2.
What is the InChIKey of N-(thiadiazol-4-ylmethyl)-2,3-dihydro-1H-inden-5-amine?
The InChIKey is QWEWEEOXENKQJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3S/c1-2-9-4-5-11(6-10(9)3-1)13-7-12-8-16-15-14-12/h4-6,8,13H,1-3,7H2.
What are the key properties of N-(thiadiazol-4-ylmethyl)-2,3-dihydro-1H-inden-5-amine?
N-(thiadiazol-4-ylmethyl)-2,3-dihydro-1H-inden-5-amine has a molecular weight of 231.32 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiadiazol-4-ylmethyl)-2,3-dihydro-1H-inden-5-amine is sourced from PubChem (CID 43663884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).