N-[1-(3-methoxyphenyl)piperidin-4-yl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine

C17H21N5OS — CID 56821501

IUPACN-[1-(3-methoxyphenyl)piperidin-4-yl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCOc1cccc(N2CCC(Nc3nn4cc(C)nc4s3)CC2)c1
InChIInChI=1S/C17H21N5OS/c1-12-11-22-17(18-12)24-16(20-22)19-13-6-8-21(9-7-13)14-4-3-5-15(10-14)23-2/h3-5,10-11,13H,6-9H2,1-2H3,(H,19,20)
InChIKeyOPJVKNDTDIXCFF-UHFFFAOYSA-N
MW343.46 g/mol
LogP3.19
Rot. Bonds4

About N-[1-(3-methoxyphenyl)piperidin-4-yl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine

N-[1-(3-methoxyphenyl)piperidin-4-yl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine (PubChem CID 56821501) has the molecular formula C17H21N5OS and a molecular weight of 343.46 g/mol. Its IUPAC name is N-[1-(3-methoxyphenyl)piperidin-4-yl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine.

Molecular Properties

Compound NameN-[1-(3-methoxyphenyl)piperidin-4-yl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
PubChem CID56821501
Molecular FormulaC17H21N5OS
Molecular Weight343.46 g/mol
Exact Mass343.15
IUPAC NameN-[1-(3-methoxyphenyl)piperidin-4-yl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCOc1cccc(N2CCC(Nc3nn4cc(C)nc4s3)CC2)c1
InChIInChI=1S/C17H21N5OS/c1-12-11-22-17(18-12)24-16(20-22)19-13-6-8-21(9-7-13)14-4-3-5-15(10-14)23-2/h3-5,10-11,13H,6-9H2,1-2H3,(H,19,20)
InChIKeyOPJVKNDTDIXCFF-UHFFFAOYSA-N
XLogP3.19
TPSA54.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.46
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 133357115
6,7-dimethoxy-2-N-[1-(3-methoxyphenyl)piperidin-4-yl]quinazoline-2,4-diamine
CID 166201680
6-[[1-(3-methoxyphenyl)piperidin-3-yl]amino]pyridine-2-carboxylic acid
CID 122053861
6-(3,4-dimethoxyphenyl)-N-(oxan-4-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 67336601
[4-(3-methoxyphenyl)piperazin-1-yl]-[2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]methanone
CID 90510093
N-cyclopentyl-1-(3-ethoxyphenyl)-4-methylimidazol-2-amine
CID 106566756
2-[[1-(3-methoxyphenyl)pyrrolidin-3-yl]amino]acetic acid
CID 117004204
1-(3-methoxyphenyl)azepane
CID 57276431
[4-(3-methoxyphenyl)piperazin-1-yl]-[1-(6-pyrrolidin-1-ylpyridazin-3-yl)piperidin-4-yl]methanone
CID 50771965
N-(3-methoxyphenyl)-1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidin-4-amine
CID 133372597
3-[4-(3-methoxyphenyl)piperazine-1-carbonyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 17379074
(1S,2S,3S,4R)-3-[4-(3-methoxyphenyl)piperazine-1-carbonyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 27519473

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methoxyphenyl)piperidin-4-yl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The IUPAC name of N-[1-(3-methoxyphenyl)piperidin-4-yl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine (CID 56821501) is N-[1-(3-methoxyphenyl)piperidin-4-yl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine.
What is the SMILES notation for N-[1-(3-methoxyphenyl)piperidin-4-yl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The canonical SMILES for N-[1-(3-methoxyphenyl)piperidin-4-yl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine is COc1cccc(N2CCC(Nc3nn4cc(C)nc4s3)CC2)c1.
What is the InChIKey of N-[1-(3-methoxyphenyl)piperidin-4-yl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The InChIKey is OPJVKNDTDIXCFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5OS/c1-12-11-22-17(18-12)24-16(20-22)19-13-6-8-21(9-7-13)14-4-3-5-15(10-14)23-2/h3-5,10-11,13H,6-9H2,1-2H3,(H,19,20).
What are the key properties of N-[1-(3-methoxyphenyl)piperidin-4-yl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine?
N-[1-(3-methoxyphenyl)piperidin-4-yl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine has a molecular weight of 343.46 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methoxyphenyl)piperidin-4-yl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine is sourced from PubChem (CID 56821501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).