3-(morpholin-4-ylmethyl)-2H-thiadiazol-4-amine

C7H14N4OS — CID 172765033

IUPAC3-(morpholin-4-ylmethyl)-2H-thiadiazol-4-amine
SMILESNC1=CSNN1CN1CCOCC1
InChIInChI=1S/C7H14N4OS/c8-7-5-13-9-11(7)6-10-1-3-12-4-2-10/h5,9H,1-4,6,8H2
InChIKeyMEUGCBVSFSHMIY-UHFFFAOYSA-N
MW202.28 g/mol
LogP-0.50
Rot. Bonds2

About 3-(morpholin-4-ylmethyl)-2H-thiadiazol-4-amine

3-(morpholin-4-ylmethyl)-2H-thiadiazol-4-amine (PubChem CID 172765033) has the molecular formula C7H14N4OS and a molecular weight of 202.28 g/mol. Its IUPAC name is 3-(morpholin-4-ylmethyl)-2H-thiadiazol-4-amine.

Molecular Properties

Compound Name3-(morpholin-4-ylmethyl)-2H-thiadiazol-4-amine
PubChem CID172765033
Molecular FormulaC7H14N4OS
Molecular Weight202.28 g/mol
Exact Mass202.09
IUPAC Name3-(morpholin-4-ylmethyl)-2H-thiadiazol-4-amine
SMILESNC1=CSNN1CN1CCOCC1
InChIInChI=1S/C7H14N4OS/c8-7-5-13-9-11(7)6-10-1-3-12-4-2-10/h5,9H,1-4,6,8H2
InChIKeyMEUGCBVSFSHMIY-UHFFFAOYSA-N
XLogP-0.50
TPSA53.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.28
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(morpholin-4-ylmethyl)morpholine
CID 21839
2-(morpholin-4-ylmethyl)-2,3-dihydro-1H-pyrrol-4-amine
CID 141358011
5-(morpholin-4-ylmethyl)-2,3-dihydro-1,3-thiazol-2-amine
CID 71052923
2-[4-(morpholin-4-ylmethyl)phenyl]guanidine
CID 68861466
4-[(E)-3-morpholin-4-ylprop-1-enyl]aniline
CID 121451952
2-(2-morpholin-4-ylethyl)-1H-pyrrol-3-amine
CID 82400247
1,2-dimorpholin-4-ylpropan-2-amine
CID 57479397
2-(2-morpholin-4-ylethyl)benzene-1,3-diamine
CID 140755433
2-(morpholin-4-ylmethyl)furan-3-amine
CID 82407819
3-(morpholin-4-ylmethyl)-1,3-oxazolidin-2-one
CID 69043566
4-(morpholin-4-ylmethyl)aniline;4-(piperidin-1-ylmethyl)aniline
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4-(1,4-oxazepan-4-ylmethyl)aniline
CID 62988786

Frequently Asked Questions

What is the IUPAC name of 3-(morpholin-4-ylmethyl)-2H-thiadiazol-4-amine?
The IUPAC name of 3-(morpholin-4-ylmethyl)-2H-thiadiazol-4-amine (CID 172765033) is 3-(morpholin-4-ylmethyl)-2H-thiadiazol-4-amine.
What is the SMILES notation for 3-(morpholin-4-ylmethyl)-2H-thiadiazol-4-amine?
The canonical SMILES for 3-(morpholin-4-ylmethyl)-2H-thiadiazol-4-amine is NC1=CSNN1CN1CCOCC1.
What is the InChIKey of 3-(morpholin-4-ylmethyl)-2H-thiadiazol-4-amine?
The InChIKey is MEUGCBVSFSHMIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4OS/c8-7-5-13-9-11(7)6-10-1-3-12-4-2-10/h5,9H,1-4,6,8H2.
What are the key properties of 3-(morpholin-4-ylmethyl)-2H-thiadiazol-4-amine?
3-(morpholin-4-ylmethyl)-2H-thiadiazol-4-amine has a molecular weight of 202.28 g/mol, XLogP of -0.50, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(morpholin-4-ylmethyl)-2H-thiadiazol-4-amine is sourced from PubChem (CID 172765033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).