1-(4-methoxyphenyl)-2-methyl-N-(thiadiazol-4-ylmethyl)propan-1-amine

C14H19N3OS — CID 122134764

IUPAC1-(4-methoxyphenyl)-2-methyl-N-(thiadiazol-4-ylmethyl)propan-1-amine
SMILESCOc1ccc(C(NCc2csnn2)C(C)C)cc1
InChIInChI=1S/C14H19N3OS/c1-10(2)14(15-8-12-9-19-17-16-12)11-4-6-13(18-3)7-5-11/h4-7,9-10,14-15H,8H2,1-3H3
InChIKeyPFGMFGBSKJNPOT-UHFFFAOYSA-N
MW277.39 g/mol
LogP3.03
Rot. Bonds6

About 1-(4-methoxyphenyl)-2-methyl-N-(thiadiazol-4-ylmethyl)propan-1-amine

1-(4-methoxyphenyl)-2-methyl-N-(thiadiazol-4-ylmethyl)propan-1-amine (PubChem CID 122134764) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2-methyl-N-(thiadiazol-4-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2-methyl-N-(thiadiazol-4-ylmethyl)propan-1-amine
PubChem CID122134764
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name1-(4-methoxyphenyl)-2-methyl-N-(thiadiazol-4-ylmethyl)propan-1-amine
SMILESCOc1ccc(C(NCc2csnn2)C(C)C)cc1
InChIInChI=1S/C14H19N3OS/c1-10(2)14(15-8-12-9-19-17-16-12)11-4-6-13(18-3)7-5-11/h4-7,9-10,14-15H,8H2,1-3H3
InChIKeyPFGMFGBSKJNPOT-UHFFFAOYSA-N
XLogP3.03
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-propan-2-yloxyphenyl)-N-(thiadiazol-4-ylmethyl)ethanamine
CID 43674167
4-methoxy-N-(thiadiazol-4-ylmethyl)aniline
CID 43663944
(2S)-1-methoxy-N-(thiadiazol-4-ylmethyl)propan-2-amine
CID 93257833
1-[4-(2-methylpropyl)phenyl]-N-(thiadiazol-4-ylmethyl)ethanamine
CID 43681735
1-(4-methoxyphenyl)-2-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propan-1-amine
CID 75483118
1-(4-methoxyphenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 62049717
2-[4-[[[1-(4-methoxyphenyl)-2-methylpropyl]amino]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 112796951
N-[(4-methoxyphenyl)-(thiadiazol-4-yl)methyl]propan-1-amine
CID 105095117
2,4-dimethoxy-N-(thiadiazol-4-ylmethyl)aniline
CID 43663822
3,5-dimethoxy-N-(thiadiazol-4-ylmethyl)aniline
CID 43663863
(2S)-4-[[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]amino]butan-2-ol
CID 124515490
N-(thiadiazol-4-ylmethyl)pentan-2-amine
CID 43663820

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-2-methyl-N-(thiadiazol-4-ylmethyl)propan-1-amine?
The IUPAC name of 1-(4-methoxyphenyl)-2-methyl-N-(thiadiazol-4-ylmethyl)propan-1-amine (CID 122134764) is 1-(4-methoxyphenyl)-2-methyl-N-(thiadiazol-4-ylmethyl)propan-1-amine.
What is the SMILES notation for 1-(4-methoxyphenyl)-2-methyl-N-(thiadiazol-4-ylmethyl)propan-1-amine?
The canonical SMILES for 1-(4-methoxyphenyl)-2-methyl-N-(thiadiazol-4-ylmethyl)propan-1-amine is COc1ccc(C(NCc2csnn2)C(C)C)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-2-methyl-N-(thiadiazol-4-ylmethyl)propan-1-amine?
The InChIKey is PFGMFGBSKJNPOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-10(2)14(15-8-12-9-19-17-16-12)11-4-6-13(18-3)7-5-11/h4-7,9-10,14-15H,8H2,1-3H3.
What are the key properties of 1-(4-methoxyphenyl)-2-methyl-N-(thiadiazol-4-ylmethyl)propan-1-amine?
1-(4-methoxyphenyl)-2-methyl-N-(thiadiazol-4-ylmethyl)propan-1-amine has a molecular weight of 277.39 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-2-methyl-N-(thiadiazol-4-ylmethyl)propan-1-amine is sourced from PubChem (CID 122134764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).