N-[(R)-(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine

C16H19N5O2S — CID 97009077

IUPACN-[(R)-(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine
SMILESCOc1cc(OC)cc([C@@H](Nc2nc(C)ns2)c2nccn2C)c1
InChIInChI=1S/C16H19N5O2S/c1-10-18-16(24-20-10)19-14(15-17-5-6-21(15)2)11-7-12(22-3)9-13(8-11)23-4/h5-9,14H,1-4H3,(H,18,19,20)/t14-/m1/s1
InChIKeyCOPVUUJTDKNWQA-CQSZACIVSA-N
MW345.43 g/mol
LogP2.80
Rot. Bonds6

About N-[(R)-(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine

N-[(R)-(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine (PubChem CID 97009077) has the molecular formula C16H19N5O2S and a molecular weight of 345.43 g/mol. Its IUPAC name is N-[(R)-(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[(R)-(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine
PubChem CID97009077
Molecular FormulaC16H19N5O2S
Molecular Weight345.43 g/mol
Exact Mass345.13
IUPAC NameN-[(R)-(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine
SMILESCOc1cc(OC)cc([C@@H](Nc2nc(C)ns2)c2nccn2C)c1
InChIInChI=1S/C16H19N5O2S/c1-10-18-16(24-20-10)19-14(15-17-5-6-21(15)2)11-7-12(22-3)9-13(8-11)23-4/h5-9,14H,1-4H3,(H,18,19,20)/t14-/m1/s1
InChIKeyCOPVUUJTDKNWQA-CQSZACIVSA-N
XLogP2.80
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.43
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 47015013
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-methylthiophene-2-carboxamide
CID 51273479
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-6-nitro-1,3-benzothiazol-2-amine
CID 56554121
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4,5-dimethylthiophene-2-carboxamide
CID 86912462
tert-butyl N-[(R)-(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]carbamate
CID 95318789
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-methylsulfanylacetamide
CID 51273517
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-naphthalen-1-ylacetamide
CID 55457067
N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5,6-dimethyl-1,2,4-triazin-3-amine
CID 131963630
(S)-(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methanamine
CID 9115286
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 55573625
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-methylbenzamide
CID 18151112
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-methyl-3-(methylamino)propanamide
CID 119838058

Frequently Asked Questions

What is the IUPAC name of N-[(R)-(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[(R)-(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine (CID 97009077) is N-[(R)-(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[(R)-(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[(R)-(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine is COc1cc(OC)cc([C@@H](Nc2nc(C)ns2)c2nccn2C)c1.
What is the InChIKey of N-[(R)-(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine?
The InChIKey is COPVUUJTDKNWQA-CQSZACIVSA-N. The full InChI is InChI=1S/C16H19N5O2S/c1-10-18-16(24-20-10)19-14(15-17-5-6-21(15)2)11-7-12(22-3)9-13(8-11)23-4/h5-9,14H,1-4H3,(H,18,19,20)/t14-/m1/s1.
What are the key properties of N-[(R)-(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine?
N-[(R)-(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine has a molecular weight of 345.43 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 97009077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).