4-(4,5-dimethoxy-2-pyridinyl)-N-(3-methyl-2-pyridinyl)-1,3-thiazol-2-amine

C16H16N4O2S — CID 163269056

IUPAC4-(4,5-dimethoxy-2-pyridinyl)-N-(3-methyl-2-pyridinyl)-1,3-thiazol-2-amine
SMILESCOc1cnc(-c2csc(Nc3ncccc3C)n2)cc1OC
InChIInChI=1S/C16H16N4O2S/c1-10-5-4-6-17-15(10)20-16-19-12(9-23-16)11-7-13(21-2)14(22-3)8-18-11/h4-9H,1-3H3,(H,17,19,20)
InChIKeyZLPNBUTWHNLXQV-UHFFFAOYSA-N
MW328.40 g/mol
LogP3.67
Rot. Bonds5

About 4-(4,5-dimethoxy-2-pyridinyl)-N-(3-methyl-2-pyridinyl)-1,3-thiazol-2-amine

4-(4,5-dimethoxy-2-pyridinyl)-N-(3-methyl-2-pyridinyl)-1,3-thiazol-2-amine (PubChem CID 163269056) has the molecular formula C16H16N4O2S and a molecular weight of 328.40 g/mol. Its IUPAC name is 4-(4,5-dimethoxy-2-pyridinyl)-N-(3-methyl-2-pyridinyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4,5-dimethoxy-2-pyridinyl)-N-(3-methyl-2-pyridinyl)-1,3-thiazol-2-amine
PubChem CID163269056
Molecular FormulaC16H16N4O2S
Molecular Weight328.40 g/mol
Exact Mass328.10
IUPAC Name4-(4,5-dimethoxy-2-pyridinyl)-N-(3-methyl-2-pyridinyl)-1,3-thiazol-2-amine
SMILESCOc1cnc(-c2csc(Nc3ncccc3C)n2)cc1OC
InChIInChI=1S/C16H16N4O2S/c1-10-5-4-6-17-15(10)20-16-19-12(9-23-16)11-7-13(21-2)14(22-3)8-18-11/h4-9H,1-3H3,(H,17,19,20)
InChIKeyZLPNBUTWHNLXQV-UHFFFAOYSA-N
XLogP3.67
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(5-chloro-2-pyridinyl)-N-(3-methyl-2-pyridinyl)-1,3-thiazol-2-amine
CID 170674867
N-(3-methyl-2-pyridinyl)-4-pyridin-4-yl-1,3-thiazol-2-amine
CID 1092469
4-(4-chlorophenyl)-N-(3-methyl-2-pyridinyl)-1,3-thiazol-2-amine
CID 2215267
4-(furan-3-yl)-N-(3-methyl-2-pyridinyl)-1,3-thiazol-2-amine;hydrochloride
CID 72720208
4-(3,4-dimethoxyphenyl)-N-pyridin-2-yl-1,3-thiazol-2-amine
CID 556017
1-[4-[2-[(3-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]piperidin-1-yl]ethanone
CID 95828285
N-(3,4-dimethylphenyl)-4-pyridin-2-yl-1,3-thiazol-2-amine
CID 972690
4-(2,4-dimethoxyphenyl)-N-pyridin-2-yl-1,3-thiazol-2-amine
CID 25342683
N-(4-chloro-2-pyridinyl)-4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-amine
CID 122499744
2-[[2-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]-3-pyridinyl]oxy]acetic acid
CID 86280870
N-(4-methoxyphenyl)-4-pyridin-2-yl-1,3-thiazol-2-amine;hydrochloride
CID 126477222
N-(5-iodo-4-methyl-2-pyridinyl)-4-pyridin-2-yl-1,3-thiazol-2-amine
CID 86076382

Frequently Asked Questions

What is the IUPAC name of 4-(4,5-dimethoxy-2-pyridinyl)-N-(3-methyl-2-pyridinyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(4,5-dimethoxy-2-pyridinyl)-N-(3-methyl-2-pyridinyl)-1,3-thiazol-2-amine (CID 163269056) is 4-(4,5-dimethoxy-2-pyridinyl)-N-(3-methyl-2-pyridinyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4,5-dimethoxy-2-pyridinyl)-N-(3-methyl-2-pyridinyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4,5-dimethoxy-2-pyridinyl)-N-(3-methyl-2-pyridinyl)-1,3-thiazol-2-amine is COc1cnc(-c2csc(Nc3ncccc3C)n2)cc1OC.
What is the InChIKey of 4-(4,5-dimethoxy-2-pyridinyl)-N-(3-methyl-2-pyridinyl)-1,3-thiazol-2-amine?
The InChIKey is ZLPNBUTWHNLXQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2S/c1-10-5-4-6-17-15(10)20-16-19-12(9-23-16)11-7-13(21-2)14(22-3)8-18-11/h4-9H,1-3H3,(H,17,19,20).
What are the key properties of 4-(4,5-dimethoxy-2-pyridinyl)-N-(3-methyl-2-pyridinyl)-1,3-thiazol-2-amine?
4-(4,5-dimethoxy-2-pyridinyl)-N-(3-methyl-2-pyridinyl)-1,3-thiazol-2-amine has a molecular weight of 328.40 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5-dimethoxy-2-pyridinyl)-N-(3-methyl-2-pyridinyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 163269056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).