N-(2,4-dimethylphenyl)-5-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine

C17H16N6S2 — CID 3631724

IUPACN-(2,4-dimethylphenyl)-5-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine
SMILESCc1ccc(Nc2nnc(SCc3cn4cccnc4n3)s2)c(C)c1
InChIInChI=1S/C17H16N6S2/c1-11-4-5-14(12(2)8-11)20-16-21-22-17(25-16)24-10-13-9-23-7-3-6-18-15(23)19-13/h3-9H,10H2,1-2H3,(H,20,21)
InChIKeyCQDXPOQBOAFEPC-UHFFFAOYSA-N
MW368.49 g/mol
LogP4.23
Rot. Bonds5

About N-(2,4-dimethylphenyl)-5-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine

N-(2,4-dimethylphenyl)-5-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine (PubChem CID 3631724) has the molecular formula C17H16N6S2 and a molecular weight of 368.49 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-5-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-5-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine
PubChem CID3631724
Molecular FormulaC17H16N6S2
Molecular Weight368.49 g/mol
Exact Mass368.09
IUPAC NameN-(2,4-dimethylphenyl)-5-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine
SMILESCc1ccc(Nc2nnc(SCc3cn4cccnc4n3)s2)c(C)c1
InChIInChI=1S/C17H16N6S2/c1-11-4-5-14(12(2)8-11)20-16-21-22-17(25-16)24-10-13-9-23-7-3-6-18-15(23)19-13/h3-9H,10H2,1-2H3,(H,20,21)
InChIKeyCQDXPOQBOAFEPC-UHFFFAOYSA-N
XLogP4.23
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.49
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 99824952
2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-5-methylaniline
CID 43302389
N-(2,4-dimethylphenyl)-5-(2-ethoxyethylsulfanyl)-1,3,4-thiadiazol-2-amine
CID 7825135
2-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine;hydrochloride
CID 126477669
N-(2,3-dimethylphenyl)-5-(pyridin-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine
CID 41479375
2-[[5-(2,4-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-methoxyphenyl)acetamide
CID 7825176
2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)aniline
CID 693030
2-[[5-(2,4-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(2S)-1-methoxypropan-2-yl]acetamide
CID 40972079
N-(2,4-dimethylphenyl)-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-amine;hydrobromide
CID 126478341
N-(2,4-dimethylphenyl)-5-[[(2S)-6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 2545709
4-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)quinazoline
CID 2997679
2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine
CID 20787305

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-5-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(2,4-dimethylphenyl)-5-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine (CID 3631724) is N-(2,4-dimethylphenyl)-5-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(2,4-dimethylphenyl)-5-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(2,4-dimethylphenyl)-5-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine is Cc1ccc(Nc2nnc(SCc3cn4cccnc4n3)s2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-5-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is CQDXPOQBOAFEPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6S2/c1-11-4-5-14(12(2)8-11)20-16-21-22-17(25-16)24-10-13-9-23-7-3-6-18-15(23)19-13/h3-9H,10H2,1-2H3,(H,20,21).
What are the key properties of N-(2,4-dimethylphenyl)-5-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine?
N-(2,4-dimethylphenyl)-5-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 368.49 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-5-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 3631724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).