N-[(3-propan-2-yloxyphenyl)methyl]thiadiazol-5-amine

C12H15N3OS — CID 107649425

IUPACN-[(3-propan-2-yloxyphenyl)methyl]thiadiazol-5-amine
SMILESCC(C)Oc1cccc(CNc2cnns2)c1
InChIInChI=1S/C12H15N3OS/c1-9(2)16-11-5-3-4-10(6-11)7-13-12-8-14-15-17-12/h3-6,8-9,13H,7H2,1-2H3
InChIKeyYSSMIPXUTYKDMH-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.94
Rot. Bonds5

About N-[(3-propan-2-yloxyphenyl)methyl]thiadiazol-5-amine

N-[(3-propan-2-yloxyphenyl)methyl]thiadiazol-5-amine (PubChem CID 107649425) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is N-[(3-propan-2-yloxyphenyl)methyl]thiadiazol-5-amine.

Molecular Properties

Compound NameN-[(3-propan-2-yloxyphenyl)methyl]thiadiazol-5-amine
PubChem CID107649425
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC NameN-[(3-propan-2-yloxyphenyl)methyl]thiadiazol-5-amine
SMILESCC(C)Oc1cccc(CNc2cnns2)c1
InChIInChI=1S/C12H15N3OS/c1-9(2)16-11-5-3-4-10(6-11)7-13-12-8-14-15-17-12/h3-6,8-9,13H,7H2,1-2H3
InChIKeyYSSMIPXUTYKDMH-UHFFFAOYSA-N
XLogP2.94
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-phenoxy-N-[(3-propan-2-yloxyphenyl)methyl]aniline
CID 54796749
1-phenyl-N-[(3-propan-2-yloxyphenyl)methyl]methanamine
CID 39357787
2-methoxy-4-methyl-N-[(3-propan-2-yloxyphenyl)methyl]aniline
CID 61211307
2,2,3,3-tetramethyl-N-[(3-propan-2-yloxyphenyl)methyl]cyclopropan-1-amine
CID 79359174
3-phenoxy-N-[(3-propan-2-yloxyphenyl)methyl]aniline
CID 10925650
(2R)-N-[(3-propan-2-yloxyphenyl)methyl]butan-2-amine
CID 39245134
3-bromo-2-methyl-N-[(3-propan-2-yloxyphenyl)methyl]aniline
CID 107630013
2,5-dibromo-N-[(3-propan-2-yloxyphenyl)methyl]aniline
CID 63446018
(2R)-2-[(3-propan-2-yloxyphenyl)methylamino]propan-1-ol
CID 114985581
4-methyl-N-[(3-propan-2-yloxyphenyl)methyl]pentan-2-amine
CID 61210556
N-[(3-propan-2-yloxyphenyl)methyl]-1-benzothiophen-5-amine
CID 63433990
2-[(3-propan-2-yloxyphenyl)methylamino]benzoic acid
CID 61210168

Frequently Asked Questions

What is the IUPAC name of N-[(3-propan-2-yloxyphenyl)methyl]thiadiazol-5-amine?
The IUPAC name of N-[(3-propan-2-yloxyphenyl)methyl]thiadiazol-5-amine (CID 107649425) is N-[(3-propan-2-yloxyphenyl)methyl]thiadiazol-5-amine.
What is the SMILES notation for N-[(3-propan-2-yloxyphenyl)methyl]thiadiazol-5-amine?
The canonical SMILES for N-[(3-propan-2-yloxyphenyl)methyl]thiadiazol-5-amine is CC(C)Oc1cccc(CNc2cnns2)c1.
What is the InChIKey of N-[(3-propan-2-yloxyphenyl)methyl]thiadiazol-5-amine?
The InChIKey is YSSMIPXUTYKDMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-9(2)16-11-5-3-4-10(6-11)7-13-12-8-14-15-17-12/h3-6,8-9,13H,7H2,1-2H3.
What are the key properties of N-[(3-propan-2-yloxyphenyl)methyl]thiadiazol-5-amine?
N-[(3-propan-2-yloxyphenyl)methyl]thiadiazol-5-amine has a molecular weight of 249.34 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-propan-2-yloxyphenyl)methyl]thiadiazol-5-amine is sourced from PubChem (CID 107649425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).