2-[[2-(4-methoxy-3-propoxyphenyl)-5-methyl-1,3-thiazol-4-yl]methylsulfanyl]pyrimidin-4-amine

C19H22N4O2S2 — CID 129286646

IUPAC2-[[2-(4-methoxy-3-propoxyphenyl)-5-methyl-1,3-thiazol-4-yl]methylsulfanyl]pyrimidin-4-amine
SMILESCCCOc1cc(-c2nc(CSc3nccc(N)n3)c(C)s2)ccc1OC
InChIInChI=1S/C19H22N4O2S2/c1-4-9-25-16-10-13(5-6-15(16)24-3)18-22-14(12(2)27-18)11-26-19-21-8-7-17(20)23-19/h5-8,10H,4,9,11H2,1-3H3,(H2,20,21,23)
InChIKeyAWRDIUJMVNALPG-UHFFFAOYSA-N
MW402.55 g/mol
LogP4.58
Rot. Bonds8

About 2-[[2-(4-methoxy-3-propoxyphenyl)-5-methyl-1,3-thiazol-4-yl]methylsulfanyl]pyrimidin-4-amine

2-[[2-(4-methoxy-3-propoxyphenyl)-5-methyl-1,3-thiazol-4-yl]methylsulfanyl]pyrimidin-4-amine (PubChem CID 129286646) has the molecular formula C19H22N4O2S2 and a molecular weight of 402.55 g/mol. Its IUPAC name is 2-[[2-(4-methoxy-3-propoxyphenyl)-5-methyl-1,3-thiazol-4-yl]methylsulfanyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[[2-(4-methoxy-3-propoxyphenyl)-5-methyl-1,3-thiazol-4-yl]methylsulfanyl]pyrimidin-4-amine
PubChem CID129286646
Molecular FormulaC19H22N4O2S2
Molecular Weight402.55 g/mol
Exact Mass402.12
IUPAC Name2-[[2-(4-methoxy-3-propoxyphenyl)-5-methyl-1,3-thiazol-4-yl]methylsulfanyl]pyrimidin-4-amine
SMILESCCCOc1cc(-c2nc(CSc3nccc(N)n3)c(C)s2)ccc1OC
InChIInChI=1S/C19H22N4O2S2/c1-4-9-25-16-10-13(5-6-15(16)24-3)18-22-14(12(2)27-18)11-26-19-21-8-7-17(20)23-19/h5-8,10H,4,9,11H2,1-3H3,(H2,20,21,23)
InChIKeyAWRDIUJMVNALPG-UHFFFAOYSA-N
XLogP4.58
TPSA83.15 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.55
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[[2-[4-(2-fluoroethoxy)-3-methoxyphenyl]-5-methyl-1,3-thiazol-4-yl]methylsulfanyl]pyrimidine-4,6-diamine
CID 126699935
[2-(4-ethoxy-3-methoxyphenyl)-5-methyl-1,3-thiazol-4-yl]methanol
CID 117098981
[2-(4-methoxy-3-propoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methanethiol
CID 82427260
2-[[5-cyclopropyl-2-[4-methoxy-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-1,3-thiazol-4-yl]methylsulfanyl]pyrimidine-4,6-diamine;2-[[5-[(4,6-diaminopyrimidin-2-yl)sulfanyl-phenylmethyl]-2-[4-methoxy-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-1,3-thiazol-4-yl]methylsulfanyl]pyrimidine-4,6-diamine;2-[[2-[4-methoxy-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-5-methyl-1,3-thiazol-4-yl]methylsulfanyl]pyrimidine-4,6-diamine
CID 160835224
4-ethyl-2-(3-methoxy-4-propoxyphenyl)-1,3-thiazole-5-carbonitrile
CID 82430197
5-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-2-propoxyaniline
CID 82152278
N-[2-[5-[4-[(1S)-1-(4,6-diaminopyrimidin-2-yl)sulfanylethyl]-5-methyl-1,3-thiazol-2-yl]-2-methoxyphenoxy]ethyl]methanesulfonamide
CID 118722637
2-[2-[2-(3-butoxy-4-methoxyphenyl)-5-propyl-1,3-thiazol-4-yl]ethyl]pyrimidine-4,6-diamine
CID 122492018
2-(4-methoxy-3-propoxyphenyl)-1,3-thiazole-5-carbothioamide
CID 82424454
2-[2-(3-methoxy-4-propoxyphenyl)-4-methyl-1,3-thiazol-5-yl]acetonitrile
CID 82427195
2-(3-methoxy-4-propoxyphenyl)-4-methyl-1,3-thiazole-5-sulfonyl chloride
CID 20989432
2-[2-(3,4-dimethoxyphenyl)-4-ethyl-1,3-thiazol-5-yl]propan-2-amine
CID 82430183

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-methoxy-3-propoxyphenyl)-5-methyl-1,3-thiazol-4-yl]methylsulfanyl]pyrimidin-4-amine?
The IUPAC name of 2-[[2-(4-methoxy-3-propoxyphenyl)-5-methyl-1,3-thiazol-4-yl]methylsulfanyl]pyrimidin-4-amine (CID 129286646) is 2-[[2-(4-methoxy-3-propoxyphenyl)-5-methyl-1,3-thiazol-4-yl]methylsulfanyl]pyrimidin-4-amine.
What is the SMILES notation for 2-[[2-(4-methoxy-3-propoxyphenyl)-5-methyl-1,3-thiazol-4-yl]methylsulfanyl]pyrimidin-4-amine?
The canonical SMILES for 2-[[2-(4-methoxy-3-propoxyphenyl)-5-methyl-1,3-thiazol-4-yl]methylsulfanyl]pyrimidin-4-amine is CCCOc1cc(-c2nc(CSc3nccc(N)n3)c(C)s2)ccc1OC.
What is the InChIKey of 2-[[2-(4-methoxy-3-propoxyphenyl)-5-methyl-1,3-thiazol-4-yl]methylsulfanyl]pyrimidin-4-amine?
The InChIKey is AWRDIUJMVNALPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2S2/c1-4-9-25-16-10-13(5-6-15(16)24-3)18-22-14(12(2)27-18)11-26-19-21-8-7-17(20)23-19/h5-8,10H,4,9,11H2,1-3H3,(H2,20,21,23).
What are the key properties of 2-[[2-(4-methoxy-3-propoxyphenyl)-5-methyl-1,3-thiazol-4-yl]methylsulfanyl]pyrimidin-4-amine?
2-[[2-(4-methoxy-3-propoxyphenyl)-5-methyl-1,3-thiazol-4-yl]methylsulfanyl]pyrimidin-4-amine has a molecular weight of 402.55 g/mol, XLogP of 4.58, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-methoxy-3-propoxyphenyl)-5-methyl-1,3-thiazol-4-yl]methylsulfanyl]pyrimidin-4-amine is sourced from PubChem (CID 129286646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).