N-[(4-propan-2-ylphenyl)-(thiadiazol-5-yl)methyl]ethanamine

C14H19N3S — CID 105144822

IUPACN-[(4-propan-2-ylphenyl)-(thiadiazol-5-yl)methyl]ethanamine
SMILESCCNC(c1ccc(C(C)C)cc1)c1cnns1
InChIInChI=1S/C14H19N3S/c1-4-15-14(13-9-16-17-18-13)12-7-5-11(6-8-12)10(2)3/h5-10,14-15H,4H2,1-3H3
InChIKeyZDCNZFBAHVSEII-UHFFFAOYSA-N
MW261.39 g/mol
LogP3.36
Rot. Bonds5

About N-[(4-propan-2-ylphenyl)-(thiadiazol-5-yl)methyl]ethanamine

N-[(4-propan-2-ylphenyl)-(thiadiazol-5-yl)methyl]ethanamine (PubChem CID 105144822) has the molecular formula C14H19N3S and a molecular weight of 261.39 g/mol. Its IUPAC name is N-[(4-propan-2-ylphenyl)-(thiadiazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-propan-2-ylphenyl)-(thiadiazol-5-yl)methyl]ethanamine
PubChem CID105144822
Molecular FormulaC14H19N3S
Molecular Weight261.39 g/mol
Exact Mass261.13
IUPAC NameN-[(4-propan-2-ylphenyl)-(thiadiazol-5-yl)methyl]ethanamine
SMILESCCNC(c1ccc(C(C)C)cc1)c1cnns1
InChIInChI=1S/C14H19N3S/c1-4-15-14(13-9-16-17-18-13)12-7-5-11(6-8-12)10(2)3/h5-10,14-15H,4H2,1-3H3
InChIKeyZDCNZFBAHVSEII-UHFFFAOYSA-N
XLogP3.36
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-propoxyphenyl)-(thiadiazol-5-yl)methyl]ethanamine
CID 105144208
N-[(3,4-dimethoxyphenyl)-(thiadiazol-5-yl)methyl]ethanamine
CID 105141221
N-[2,3-dihydro-1,4-benzodioxin-6-yl(thiadiazol-5-yl)methyl]ethanamine
CID 105141112
N-[thiadiazol-5-yl(thiophen-2-yl)methyl]ethanamine
CID 105100347
N-[(4-methylthiadiazol-5-yl)-(4-propan-2-ylphenyl)methyl]ethanamine
CID 105144821
N-ethyl-3-methyl-1-(thiadiazol-5-yl)butan-1-amine
CID 105083153
N-[(4,5-dibromothiophen-2-yl)-(4-propan-2-ylphenyl)methyl]ethanamine
CID 80533737
N-[quinolin-5-yl(thiadiazol-5-yl)methyl]ethanamine
CID 105171948
N-[cycloocten-1-yl(thiadiazol-5-yl)methyl]ethanamine
CID 106656392
N-[(2-fluoro-4,6-dimethylphenyl)-(thiadiazol-5-yl)methyl]ethanamine
CID 106883667
N-[(2,6-dimethyl-4-pyridinyl)-(4-propan-2-ylphenyl)methyl]ethanamine
CID 107503716
N-[(4-methoxyphenyl)-(4-propan-2-ylphenyl)methyl]ethanamine
CID 43489198

Frequently Asked Questions

What is the IUPAC name of N-[(4-propan-2-ylphenyl)-(thiadiazol-5-yl)methyl]ethanamine?
The IUPAC name of N-[(4-propan-2-ylphenyl)-(thiadiazol-5-yl)methyl]ethanamine (CID 105144822) is N-[(4-propan-2-ylphenyl)-(thiadiazol-5-yl)methyl]ethanamine.
What is the SMILES notation for N-[(4-propan-2-ylphenyl)-(thiadiazol-5-yl)methyl]ethanamine?
The canonical SMILES for N-[(4-propan-2-ylphenyl)-(thiadiazol-5-yl)methyl]ethanamine is CCNC(c1ccc(C(C)C)cc1)c1cnns1.
What is the InChIKey of N-[(4-propan-2-ylphenyl)-(thiadiazol-5-yl)methyl]ethanamine?
The InChIKey is ZDCNZFBAHVSEII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3S/c1-4-15-14(13-9-16-17-18-13)12-7-5-11(6-8-12)10(2)3/h5-10,14-15H,4H2,1-3H3.
What are the key properties of N-[(4-propan-2-ylphenyl)-(thiadiazol-5-yl)methyl]ethanamine?
N-[(4-propan-2-ylphenyl)-(thiadiazol-5-yl)methyl]ethanamine has a molecular weight of 261.39 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-propan-2-ylphenyl)-(thiadiazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 105144822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).