3-methyl-N-(1-morpholin-4-ylpropan-2-yl)-1,2,4-thiadiazol-5-amine

C10H18N4OS — CID 65267457

IUPAC3-methyl-N-(1-morpholin-4-ylpropan-2-yl)-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(NC(C)CN2CCOCC2)n1
InChIInChI=1S/C10H18N4OS/c1-8(7-14-3-5-15-6-4-14)11-10-12-9(2)13-16-10/h8H,3-7H2,1-2H3,(H,11,12,13)
InChIKeyKKJWMZGOCIRBAX-UHFFFAOYSA-N
MW242.35 g/mol
LogP0.98
Rot. Bonds4

About 3-methyl-N-(1-morpholin-4-ylpropan-2-yl)-1,2,4-thiadiazol-5-amine

3-methyl-N-(1-morpholin-4-ylpropan-2-yl)-1,2,4-thiadiazol-5-amine (PubChem CID 65267457) has the molecular formula C10H18N4OS and a molecular weight of 242.35 g/mol. Its IUPAC name is 3-methyl-N-(1-morpholin-4-ylpropan-2-yl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-methyl-N-(1-morpholin-4-ylpropan-2-yl)-1,2,4-thiadiazol-5-amine
PubChem CID65267457
Molecular FormulaC10H18N4OS
Molecular Weight242.35 g/mol
Exact Mass242.12
IUPAC Name3-methyl-N-(1-morpholin-4-ylpropan-2-yl)-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(NC(C)CN2CCOCC2)n1
InChIInChI=1S/C10H18N4OS/c1-8(7-14-3-5-15-6-4-14)11-10-12-9(2)13-16-10/h8H,3-7H2,1-2H3,(H,11,12,13)
InChIKeyKKJWMZGOCIRBAX-UHFFFAOYSA-N
XLogP0.98
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R,3R)-2,3-dimethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine
CID 98793337
3-Methyl-4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholine
CID 71861557
(3S)-4-(3-ethyl-1,2,4-thiadiazol-5-yl)-3-methylmorpholine
CID 97059887
3-methyl-N-(4-morpholin-4-ylbutyl)-1,2,4-thiadiazol-5-amine
CID 132380131
(2S,3R)-2,3-dimethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine
CID 98793335
N-(2-morpholin-4-ylethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304684
N-(3-morpholin-4-ylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304700
N-(1-morpholin-4-ylpropan-2-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304840
N-[(4-methylmorpholin-2-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107305031
N-[(4-ethylmorpholin-2-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107305195
N-(morpholin-3-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107305520
2-methoxy-N-[[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-2-yl]methyl]ethanamine
CID 107305956

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(1-morpholin-4-ylpropan-2-yl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-methyl-N-(1-morpholin-4-ylpropan-2-yl)-1,2,4-thiadiazol-5-amine (CID 65267457) is 3-methyl-N-(1-morpholin-4-ylpropan-2-yl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-methyl-N-(1-morpholin-4-ylpropan-2-yl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-methyl-N-(1-morpholin-4-ylpropan-2-yl)-1,2,4-thiadiazol-5-amine is Cc1nsc(NC(C)CN2CCOCC2)n1.
What is the InChIKey of 3-methyl-N-(1-morpholin-4-ylpropan-2-yl)-1,2,4-thiadiazol-5-amine?
The InChIKey is KKJWMZGOCIRBAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4OS/c1-8(7-14-3-5-15-6-4-14)11-10-12-9(2)13-16-10/h8H,3-7H2,1-2H3,(H,11,12,13).
What are the key properties of 3-methyl-N-(1-morpholin-4-ylpropan-2-yl)-1,2,4-thiadiazol-5-amine?
3-methyl-N-(1-morpholin-4-ylpropan-2-yl)-1,2,4-thiadiazol-5-amine has a molecular weight of 242.35 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(1-morpholin-4-ylpropan-2-yl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65267457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).