N-cyclopropyl-5-(9H-fluoren-9-ylsulfanyl)-1,3,4-thiadiazol-2-amine

C18H15N3S2 — CID 8674705

IUPACN-cyclopropyl-5-(9H-fluoren-9-ylsulfanyl)-1,3,4-thiadiazol-2-amine
SMILESc1ccc2c(c1)-c1ccccc1C2Sc1nnc(NC2CC2)s1
InChIInChI=1S/C18H15N3S2/c1-3-7-14-12(5-1)13-6-2-4-8-15(13)16(14)22-18-21-20-17(23-18)19-11-9-10-11/h1-8,11,16H,9-10H2,(H,19,20)
InChIKeyKDNLTVCELRNFAN-UHFFFAOYSA-N
MW337.47 g/mol
LogP4.97
Rot. Bonds4

About N-cyclopropyl-5-(9H-fluoren-9-ylsulfanyl)-1,3,4-thiadiazol-2-amine

N-cyclopropyl-5-(9H-fluoren-9-ylsulfanyl)-1,3,4-thiadiazol-2-amine (PubChem CID 8674705) has the molecular formula C18H15N3S2 and a molecular weight of 337.47 g/mol. Its IUPAC name is N-cyclopropyl-5-(9H-fluoren-9-ylsulfanyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-cyclopropyl-5-(9H-fluoren-9-ylsulfanyl)-1,3,4-thiadiazol-2-amine
PubChem CID8674705
Molecular FormulaC18H15N3S2
Molecular Weight337.47 g/mol
Exact Mass337.07
IUPAC NameN-cyclopropyl-5-(9H-fluoren-9-ylsulfanyl)-1,3,4-thiadiazol-2-amine
SMILESc1ccc2c(c1)-c1ccccc1C2Sc1nnc(NC2CC2)s1
InChIInChI=1S/C18H15N3S2/c1-3-7-14-12(5-1)13-6-2-4-8-15(13)16(14)22-18-21-20-17(23-18)19-11-9-10-11/h1-8,11,16H,9-10H2,(H,19,20)
InChIKeyKDNLTVCELRNFAN-UHFFFAOYSA-N
XLogP4.97
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-5-[(1S)-1-phenylethyl]sulfanyl-1,3,4-thiadiazol-2-amine
CID 30079274
5-[(2-chlorophenyl)methylsulfanyl]-N-cyclopropyl-1,3,4-thiadiazol-2-amine
CID 17435424
2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 8674554
2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(1S)-1-phenylethyl]acetamide
CID 8674447
3-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]azepan-2-one
CID 42888331
2-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[2-(2-methylphenyl)ethyl]acetamide
CID 8633071
N-cyclohexyl-5-(2-pyridin-2-ylethylsulfanyl)-1,3,4-thiadiazol-2-amine
CID 17455895
6-[[5-(cyclopropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-phenylpyridazine-3-carboxamide
CID 133313439
2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]cyclohexan-1-one
CID 5166430
2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]cycloheptan-1-one
CID 43055107
N-cyclopropyl-5-(2-methylprop-2-enylsulfanyl)-1,3,4-thiadiazol-2-amine
CID 25352768
5-(2-bromoprop-2-enylsulfanyl)-N-cyclopropyl-1,3,4-thiadiazol-2-amine
CID 47068540

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-(9H-fluoren-9-ylsulfanyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-cyclopropyl-5-(9H-fluoren-9-ylsulfanyl)-1,3,4-thiadiazol-2-amine (CID 8674705) is N-cyclopropyl-5-(9H-fluoren-9-ylsulfanyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-cyclopropyl-5-(9H-fluoren-9-ylsulfanyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-cyclopropyl-5-(9H-fluoren-9-ylsulfanyl)-1,3,4-thiadiazol-2-amine is c1ccc2c(c1)-c1ccccc1C2Sc1nnc(NC2CC2)s1.
What is the InChIKey of N-cyclopropyl-5-(9H-fluoren-9-ylsulfanyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is KDNLTVCELRNFAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3S2/c1-3-7-14-12(5-1)13-6-2-4-8-15(13)16(14)22-18-21-20-17(23-18)19-11-9-10-11/h1-8,11,16H,9-10H2,(H,19,20).
What are the key properties of N-cyclopropyl-5-(9H-fluoren-9-ylsulfanyl)-1,3,4-thiadiazol-2-amine?
N-cyclopropyl-5-(9H-fluoren-9-ylsulfanyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 337.47 g/mol, XLogP of 4.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-(9H-fluoren-9-ylsulfanyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 8674705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).