(2S)-1-methoxy-N-(thiadiazol-4-ylmethyl)propan-2-amine

C7H13N3OS — CID 93257833

IUPAC(2S)-1-methoxy-N-(thiadiazol-4-ylmethyl)propan-2-amine
SMILESCOC[C@H](C)NCc1csnn1
InChIInChI=1S/C7H13N3OS/c1-6(4-11-2)8-3-7-5-12-10-9-7/h5-6,8H,3-4H2,1-2H3/t6-/m0/s1
InChIKeyAZFYINRGTNCZEP-LURJTMIESA-N
MW187.27 g/mol
LogP0.66
Rot. Bonds5

About (2S)-1-methoxy-N-(thiadiazol-4-ylmethyl)propan-2-amine

(2S)-1-methoxy-N-(thiadiazol-4-ylmethyl)propan-2-amine (PubChem CID 93257833) has the molecular formula C7H13N3OS and a molecular weight of 187.27 g/mol. Its IUPAC name is (2S)-1-methoxy-N-(thiadiazol-4-ylmethyl)propan-2-amine.

Molecular Properties

Compound Name(2S)-1-methoxy-N-(thiadiazol-4-ylmethyl)propan-2-amine
PubChem CID93257833
Molecular FormulaC7H13N3OS
Molecular Weight187.27 g/mol
Exact Mass187.08
IUPAC Name(2S)-1-methoxy-N-(thiadiazol-4-ylmethyl)propan-2-amine
SMILESCOC[C@H](C)NCc1csnn1
InChIInChI=1S/C7H13N3OS/c1-6(4-11-2)8-3-7-5-12-10-9-7/h5-6,8H,3-4H2,1-2H3/t6-/m0/s1
InChIKeyAZFYINRGTNCZEP-LURJTMIESA-N
XLogP0.66
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.27
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethoxy-N-methyl-N-(thiadiazol-4-ylmethyl)ethanamine
CID 75500011
N-(thiadiazol-4-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 63828537
2-(2,2-difluoroethoxy)-N-(thiadiazol-4-ylmethyl)ethanamine
CID 103083073
1,1-Difluoro-3-(thiadiazol-4-ylmethylamino)propan-2-ol
CID 103923463
N-(thiadiazol-4-ylmethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 115904722
1,1,1-Trifluoro-3-(thiadiazol-4-ylmethylamino)propan-2-ol
CID 115904995
2,2,2-trifluoro-N-(2-methoxyethyl)-N-(thiadiazol-4-ylmethyl)ethanamine
CID 122158072
N-(thiadiazol-4-ylmethyl)ethanamine
CID 43663782
N'-(thiadiazol-4-ylmethyl)ethane-1,2-diamine
CID 60888547
N-[(1,2,3-thiadiazol-4-yl)methyl]cyclopropanamine
CID 43663774
N',N'-dimethyl-N-(thiadiazol-4-ylmethyl)ethane-1,2-diamine
CID 43663776
Tert-butyl[(1,2,3-thiadiazol-4-yl)methyl]amine
CID 43663779

Frequently Asked Questions

What is the IUPAC name of (2S)-1-methoxy-N-(thiadiazol-4-ylmethyl)propan-2-amine?
The IUPAC name of (2S)-1-methoxy-N-(thiadiazol-4-ylmethyl)propan-2-amine (CID 93257833) is (2S)-1-methoxy-N-(thiadiazol-4-ylmethyl)propan-2-amine.
What is the SMILES notation for (2S)-1-methoxy-N-(thiadiazol-4-ylmethyl)propan-2-amine?
The canonical SMILES for (2S)-1-methoxy-N-(thiadiazol-4-ylmethyl)propan-2-amine is COC[C@H](C)NCc1csnn1.
What is the InChIKey of (2S)-1-methoxy-N-(thiadiazol-4-ylmethyl)propan-2-amine?
The InChIKey is AZFYINRGTNCZEP-LURJTMIESA-N. The full InChI is InChI=1S/C7H13N3OS/c1-6(4-11-2)8-3-7-5-12-10-9-7/h5-6,8H,3-4H2,1-2H3/t6-/m0/s1.
What are the key properties of (2S)-1-methoxy-N-(thiadiazol-4-ylmethyl)propan-2-amine?
(2S)-1-methoxy-N-(thiadiazol-4-ylmethyl)propan-2-amine has a molecular weight of 187.27 g/mol, XLogP of 0.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-methoxy-N-(thiadiazol-4-ylmethyl)propan-2-amine is sourced from PubChem (CID 93257833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).