N-[(4-methylthiadiazol-5-yl)methyl]-1-(oxolan-2-yl)methanamine

C9H15N3OS — CID 65199521

IUPACN-[(4-methylthiadiazol-5-yl)methyl]-1-(oxolan-2-yl)methanamine
SMILESCc1nnsc1CNCC1CCCO1
InChIInChI=1S/C9H15N3OS/c1-7-9(14-12-11-7)6-10-5-8-3-2-4-13-8/h8,10H,2-6H2,1H3
InChIKeyJIHHAQCGNFKKIU-UHFFFAOYSA-N
MW213.31 g/mol
LogP1.12
Rot. Bonds4

About N-[(4-methylthiadiazol-5-yl)methyl]-1-(oxolan-2-yl)methanamine

N-[(4-methylthiadiazol-5-yl)methyl]-1-(oxolan-2-yl)methanamine (PubChem CID 65199521) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is N-[(4-methylthiadiazol-5-yl)methyl]-1-(oxolan-2-yl)methanamine.

Molecular Properties

Compound NameN-[(4-methylthiadiazol-5-yl)methyl]-1-(oxolan-2-yl)methanamine
PubChem CID65199521
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC NameN-[(4-methylthiadiazol-5-yl)methyl]-1-(oxolan-2-yl)methanamine
SMILESCc1nnsc1CNCC1CCCO1
InChIInChI=1S/C9H15N3OS/c1-7-9(14-12-11-7)6-10-5-8-3-2-4-13-8/h8,10H,2-6H2,1H3
InChIKeyJIHHAQCGNFKKIU-UHFFFAOYSA-N
XLogP1.12
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[methyl-[(4-methylthiadiazol-5-yl)methyl]amino]-N-(oxolan-2-ylmethyl)acetamide
CID 91843147
N-[(4-methylphenyl)methyl]-1-(oxolan-2-yl)methanamine;hydrochloride
CID 16807190
1-(oxolan-2-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine
CID 43180702
N,N-dimethyl-5-[(oxolan-2-ylmethylamino)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 115587078
4-methoxy-N,N-dimethyl-5-[(oxolan-2-ylmethylamino)methyl]-1,3-thiazol-2-amine
CID 43665141
N-[(6-methyl-2-pyridinyl)methyl]-1-(oxolan-2-yl)methanamine
CID 60984970
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 124575654
N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]-2-[[(2S)-oxan-2-yl]methoxy]acetamide
CID 124749409
N-[(1-ethyl-4-methylpyrazol-5-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 124932035
5-methyl-N-(oxolan-2-ylmethyl)-1,3,4-thiadiazol-2-amine
CID 64915572
N-(oxolan-2-ylmethyl)thiatriazol-5-amine
CID 86210692
N-[(5-methyl-2-propylpyrazol-3-yl)methyl]-1-(oxolan-2-yl)methanamine
CID 122166158

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylthiadiazol-5-yl)methyl]-1-(oxolan-2-yl)methanamine?
The IUPAC name of N-[(4-methylthiadiazol-5-yl)methyl]-1-(oxolan-2-yl)methanamine (CID 65199521) is N-[(4-methylthiadiazol-5-yl)methyl]-1-(oxolan-2-yl)methanamine.
What is the SMILES notation for N-[(4-methylthiadiazol-5-yl)methyl]-1-(oxolan-2-yl)methanamine?
The canonical SMILES for N-[(4-methylthiadiazol-5-yl)methyl]-1-(oxolan-2-yl)methanamine is Cc1nnsc1CNCC1CCCO1.
What is the InChIKey of N-[(4-methylthiadiazol-5-yl)methyl]-1-(oxolan-2-yl)methanamine?
The InChIKey is JIHHAQCGNFKKIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c1-7-9(14-12-11-7)6-10-5-8-3-2-4-13-8/h8,10H,2-6H2,1H3.
What are the key properties of N-[(4-methylthiadiazol-5-yl)methyl]-1-(oxolan-2-yl)methanamine?
N-[(4-methylthiadiazol-5-yl)methyl]-1-(oxolan-2-yl)methanamine has a molecular weight of 213.31 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylthiadiazol-5-yl)methyl]-1-(oxolan-2-yl)methanamine is sourced from PubChem (CID 65199521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).