N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-morpholin-4-yl-1,2,4-thiadiazol-5-amine

C15H18N4O3S — CID 75392947

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-morpholin-4-yl-1,2,4-thiadiazol-5-amine
SMILESc1cc2c(cc1CNc1nc(N3CCOCC3)ns1)OCCO2
InChIInChI=1S/C15H18N4O3S/c1-2-12-13(22-8-7-21-12)9-11(1)10-16-15-17-14(18-23-15)19-3-5-20-6-4-19/h1-2,9H,3-8,10H2,(H,16,17,18)
InChIKeyDSFVUSKIQDAUIK-UHFFFAOYSA-N
MW334.40 g/mol
LogP1.76
Rot. Bonds4

About N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-morpholin-4-yl-1,2,4-thiadiazol-5-amine

N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-morpholin-4-yl-1,2,4-thiadiazol-5-amine (PubChem CID 75392947) has the molecular formula C15H18N4O3S and a molecular weight of 334.40 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-morpholin-4-yl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-morpholin-4-yl-1,2,4-thiadiazol-5-amine
PubChem CID75392947
Molecular FormulaC15H18N4O3S
Molecular Weight334.40 g/mol
Exact Mass334.11
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-morpholin-4-yl-1,2,4-thiadiazol-5-amine
SMILESc1cc2c(cc1CNc1nc(N3CCOCC3)ns1)OCCO2
InChIInChI=1S/C15H18N4O3S/c1-2-12-13(22-8-7-21-12)9-11(1)10-16-15-17-14(18-23-15)19-3-5-20-6-4-19/h1-2,9H,3-8,10H2,(H,16,17,18)
InChIKeyDSFVUSKIQDAUIK-UHFFFAOYSA-N
XLogP1.76
TPSA68.74 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-(2,3-Dihydro-1,4-benzodioxin-6-ylmethyl)-2-(1,2,4-triazol-1-ylmethyl)morpholine
CID 53610309
3-morpholin-4-yl-N-[(3,4,5-trimethoxyphenyl)methyl]-1,2,4-thiadiazol-5-amine
CID 75434647
N-[(4-methoxyphenyl)methyl]-3-morpholin-4-yl-1,2,4-thiadiazol-5-amine
CID 75434648
N-[(2,3-dimethoxyphenyl)methyl]-3-morpholin-4-yl-1,2,4-thiadiazol-5-amine
CID 75434649
N-(benzo[d][1,3]dioxol-5-ylmethyl)-4,6-dimorpholino-1,3,5-triazin-2-amine
CID 41783048
N-[1-[[3-(2-fluoroethoxy)-4-methoxyphenyl]methyl]piperidin-4-yl]-4,6-dimethoxy-1,3,5-triazin-2-amine
CID 87572807
N-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-3-methyl-1,2,4-thiadiazol-5-amine
CID 133318041
N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-3-methyl-1,2,4-thiadiazol-5-amine
CID 133318728
4-N-(1,3-benzodioxol-5-ylmethyl)-2-N,2-N-diethyl-6-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4,6-triamine
CID 117093243
5-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-morpholin-4-yl-1,2,4-triazole-1-carbothioamide
CID 15155387
5-amino-3-morpholin-4-yl-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]-1,2,4-triazole-1-carbothioamide
CID 15155395
5-[4-(2,3-Dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]-3-methyl-1,2,4-thiadiazole
CID 20384272

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-morpholin-4-yl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-morpholin-4-yl-1,2,4-thiadiazol-5-amine (CID 75392947) is N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-morpholin-4-yl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-morpholin-4-yl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-morpholin-4-yl-1,2,4-thiadiazol-5-amine is c1cc2c(cc1CNc1nc(N3CCOCC3)ns1)OCCO2.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-morpholin-4-yl-1,2,4-thiadiazol-5-amine?
The InChIKey is DSFVUSKIQDAUIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3S/c1-2-12-13(22-8-7-21-12)9-11(1)10-16-15-17-14(18-23-15)19-3-5-20-6-4-19/h1-2,9H,3-8,10H2,(H,16,17,18).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-morpholin-4-yl-1,2,4-thiadiazol-5-amine?
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-morpholin-4-yl-1,2,4-thiadiazol-5-amine has a molecular weight of 334.40 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-morpholin-4-yl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 75392947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).