N-methyl-1-(5-methylthiophen-2-yl)-1-(4-propylthiadiazol-5-yl)methanamine

C12H17N3S2 — CID 105161965

IUPACN-methyl-1-(5-methylthiophen-2-yl)-1-(4-propylthiadiazol-5-yl)methanamine
SMILESCCCc1nnsc1C(NC)c1ccc(C)s1
InChIInChI=1S/C12H17N3S2/c1-4-5-9-12(17-15-14-9)11(13-3)10-7-6-8(2)16-10/h6-7,11,13H,4-5H2,1-3H3
InChIKeyYFHRKQKSVPOKNI-UHFFFAOYSA-N
MW267.42 g/mol
LogP3.17
Rot. Bonds5

About N-methyl-1-(5-methylthiophen-2-yl)-1-(4-propylthiadiazol-5-yl)methanamine

N-methyl-1-(5-methylthiophen-2-yl)-1-(4-propylthiadiazol-5-yl)methanamine (PubChem CID 105161965) has the molecular formula C12H17N3S2 and a molecular weight of 267.42 g/mol. Its IUPAC name is N-methyl-1-(5-methylthiophen-2-yl)-1-(4-propylthiadiazol-5-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(5-methylthiophen-2-yl)-1-(4-propylthiadiazol-5-yl)methanamine
PubChem CID105161965
Molecular FormulaC12H17N3S2
Molecular Weight267.42 g/mol
Exact Mass267.09
IUPAC NameN-methyl-1-(5-methylthiophen-2-yl)-1-(4-propylthiadiazol-5-yl)methanamine
SMILESCCCc1nnsc1C(NC)c1ccc(C)s1
InChIInChI=1S/C12H17N3S2/c1-4-5-9-12(17-15-14-9)11(13-3)10-7-6-8(2)16-10/h6-7,11,13H,4-5H2,1-3H3
InChIKeyYFHRKQKSVPOKNI-UHFFFAOYSA-N
XLogP3.17
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(4-ethylthiadiazol-5-yl)-(5-methylthiophen-2-yl)methyl]hydrazine
CID 105318787
N-[(5-chlorothiophen-2-yl)-(4-propylthiadiazol-5-yl)methyl]propan-1-amine
CID 105173463
1-(2,5-dimethylphenyl)-N-methyl-1-(4-propylthiadiazol-5-yl)methanamine
CID 105120034
1-(2,4-dimethylphenyl)-N-methyl-1-(4-propylthiadiazol-5-yl)methanamine
CID 105145197
N-methyl-1-naphthalen-1-yl-1-(4-propylthiadiazol-5-yl)methanamine
CID 105141285
1-(4-methoxy-2-methylphenyl)-N-methyl-1-(4-propylthiadiazol-5-yl)methanamine
CID 105115184
1-(2,5-difluorophenyl)-N-methyl-1-(4-propylthiadiazol-5-yl)methanamine
CID 105143808
1-(2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(4-propylthiadiazol-5-yl)methanamine
CID 105189321
1-(4-methoxy-2,5-dimethylphenyl)-N-methyl-1-(4-propylthiadiazol-5-yl)methanamine
CID 105179011
1-(3-methoxypyrazin-2-yl)-N-methyl-1-(4-propylthiadiazol-5-yl)methanamine
CID 105178581
N-methyl-1-(3-propan-2-yloxyphenyl)-1-(4-propylthiadiazol-5-yl)methanamine
CID 105171286
N-[(2-methylthiophen-3-yl)-(4-propylthiadiazol-5-yl)methyl]ethanamine
CID 102842118

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(5-methylthiophen-2-yl)-1-(4-propylthiadiazol-5-yl)methanamine?
The IUPAC name of N-methyl-1-(5-methylthiophen-2-yl)-1-(4-propylthiadiazol-5-yl)methanamine (CID 105161965) is N-methyl-1-(5-methylthiophen-2-yl)-1-(4-propylthiadiazol-5-yl)methanamine.
What is the SMILES notation for N-methyl-1-(5-methylthiophen-2-yl)-1-(4-propylthiadiazol-5-yl)methanamine?
The canonical SMILES for N-methyl-1-(5-methylthiophen-2-yl)-1-(4-propylthiadiazol-5-yl)methanamine is CCCc1nnsc1C(NC)c1ccc(C)s1.
What is the InChIKey of N-methyl-1-(5-methylthiophen-2-yl)-1-(4-propylthiadiazol-5-yl)methanamine?
The InChIKey is YFHRKQKSVPOKNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3S2/c1-4-5-9-12(17-15-14-9)11(13-3)10-7-6-8(2)16-10/h6-7,11,13H,4-5H2,1-3H3.
What are the key properties of N-methyl-1-(5-methylthiophen-2-yl)-1-(4-propylthiadiazol-5-yl)methanamine?
N-methyl-1-(5-methylthiophen-2-yl)-1-(4-propylthiadiazol-5-yl)methanamine has a molecular weight of 267.42 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(5-methylthiophen-2-yl)-1-(4-propylthiadiazol-5-yl)methanamine is sourced from PubChem (CID 105161965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).