N-methyl-1-(2-phenylcyclopropyl)-1-(4-propan-2-ylthiadiazol-5-yl)methanamine

C16H21N3S — CID 105189051

IUPACN-methyl-1-(2-phenylcyclopropyl)-1-(4-propan-2-ylthiadiazol-5-yl)methanamine
SMILESCNC(c1snnc1C(C)C)C1CC1c1ccccc1
InChIInChI=1S/C16H21N3S/c1-10(2)14-16(20-19-18-14)15(17-3)13-9-12(13)11-7-5-4-6-8-11/h4-8,10,12-13,15,17H,9H2,1-3H3
InChIKeySEBMWPUUQJBMTQ-UHFFFAOYSA-N
MW287.43 g/mol
LogP3.73
Rot. Bonds5

About N-methyl-1-(2-phenylcyclopropyl)-1-(4-propan-2-ylthiadiazol-5-yl)methanamine

N-methyl-1-(2-phenylcyclopropyl)-1-(4-propan-2-ylthiadiazol-5-yl)methanamine (PubChem CID 105189051) has the molecular formula C16H21N3S and a molecular weight of 287.43 g/mol. Its IUPAC name is N-methyl-1-(2-phenylcyclopropyl)-1-(4-propan-2-ylthiadiazol-5-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(2-phenylcyclopropyl)-1-(4-propan-2-ylthiadiazol-5-yl)methanamine
PubChem CID105189051
Molecular FormulaC16H21N3S
Molecular Weight287.43 g/mol
Exact Mass287.15
IUPAC NameN-methyl-1-(2-phenylcyclopropyl)-1-(4-propan-2-ylthiadiazol-5-yl)methanamine
SMILESCNC(c1snnc1C(C)C)C1CC1c1ccccc1
InChIInChI=1S/C16H21N3S/c1-10(2)14-16(20-19-18-14)15(17-3)13-9-12(13)11-7-5-4-6-8-11/h4-8,10,12-13,15,17H,9H2,1-3H3
InChIKeySEBMWPUUQJBMTQ-UHFFFAOYSA-N
XLogP3.73
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-(4-methyl-1,3-thiazol-5-yl)-1-(2-phenylcyclopropyl)methanamine
CID 105189104
N-methyl-1-(2-methyl-1,3-thiazol-5-yl)-1-(2-phenylcyclopropyl)methanamine
CID 114031727
1-(5-bromo-2-pyridinyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine
CID 116517909
1-(3-fluoro-4-pyridinyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine
CID 116517836
1-(3,5-difluorophenyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine
CID 116517417
1-(5-bromothiophen-3-yl)-N-methyl-1-(2-phenylcyclopropyl)methanamine
CID 105189078
N-methyl-1-(2-phenylcyclopropyl)-1-(2,3,4-trifluorophenyl)methanamine
CID 115855352
N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine
CID 105082276
1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-1-(2-phenylcyclopropyl)methanamine
CID 105047333
1-(3-methoxy-4-pyridinyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine
CID 105066144
1-(3-ethylphenyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine
CID 105018905
1-(2-bromo-5-methylphenyl)-N-methyl-1-(2-phenylcyclopropyl)methanamine
CID 105052519

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-phenylcyclopropyl)-1-(4-propan-2-ylthiadiazol-5-yl)methanamine?
The IUPAC name of N-methyl-1-(2-phenylcyclopropyl)-1-(4-propan-2-ylthiadiazol-5-yl)methanamine (CID 105189051) is N-methyl-1-(2-phenylcyclopropyl)-1-(4-propan-2-ylthiadiazol-5-yl)methanamine.
What is the SMILES notation for N-methyl-1-(2-phenylcyclopropyl)-1-(4-propan-2-ylthiadiazol-5-yl)methanamine?
The canonical SMILES for N-methyl-1-(2-phenylcyclopropyl)-1-(4-propan-2-ylthiadiazol-5-yl)methanamine is CNC(c1snnc1C(C)C)C1CC1c1ccccc1.
What is the InChIKey of N-methyl-1-(2-phenylcyclopropyl)-1-(4-propan-2-ylthiadiazol-5-yl)methanamine?
The InChIKey is SEBMWPUUQJBMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3S/c1-10(2)14-16(20-19-18-14)15(17-3)13-9-12(13)11-7-5-4-6-8-11/h4-8,10,12-13,15,17H,9H2,1-3H3.
What are the key properties of N-methyl-1-(2-phenylcyclopropyl)-1-(4-propan-2-ylthiadiazol-5-yl)methanamine?
N-methyl-1-(2-phenylcyclopropyl)-1-(4-propan-2-ylthiadiazol-5-yl)methanamine has a molecular weight of 287.43 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-phenylcyclopropyl)-1-(4-propan-2-ylthiadiazol-5-yl)methanamine is sourced from PubChem (CID 105189051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).